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Profile: Trans World Chemicals, Inc. specializes in the manufacturing of chemical intermediates. Our products include isothiocyanates, thioureas, amines, benzyl halides, carboxylic acids, nitriles and heterocycles.

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• 2,6-Diethylphenylthiourea
IUPAC Name: (2,6-diethylphenyl)thiourea | CAS Registry Number: 25343-30-0
Synonyms: Maybridge1_007108, NSC176357, Thiourea, (2,6-diethylphenyl)-, CID708455, ZINC05956534, NSC 176357

Molecular Formula: C11H16N2SMolecular Weight: 208.323140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 0

InChIKey: UQCMKQLHZQIUHB-UHFFFAOYSA-N

• 3-(Diethylamino)Propyl Isothiocyanate
IUPAC Name: N,N-diethyl-3-isothiocyanatopropan-1-amine | CAS Registry Number: 2626-52-0
Synonyms: 560510_ALDRICH, ALBB-006649, STK399810, 3-(Diethylamino)propyl isothiocyanate, BBV-104698, CID2758240, N,N-diethyl-3-isothiocyanatopropan-1-amine, N,N-diethyl-3-isothiocyanato-propan-1-amine, N,N-diethyl-N-(3-isothiocyanatopropyl)amine

Molecular Formula: C8H16N2SMolecular Weight: 172.291040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QPBVKSLJBRCKIF-UHFFFAOYSA-N

• 2-Acetyl-7-methoxybenzofuran
IUPAC Name: 1-(7-methoxy-1-benzofuran-2-yl)ethanone | CAS Registry Number: 43071-52-9
Synonyms: MLS000689257, 492760_ALDRICH, 1-(7-Methoxy-2-benzofuranyl)ethanone, 7-Methoxy-2-benzofuranyl methyl ketone, ALBB-006197, Ethanone, 1-(7-methoxy-2-benzofuranyl)-, BRN 0156263, KETONE, 7-METHOXY-2-BENZOFURANYL METHYL, ZINC00156175, 1-(7-Methoxy-1-benzofuran-2-yl)ethanone, LS-87267, SMR000311055, ST5097454, EU-0062740, 4-18-00-00361 (Beilstein Handbook Reference), Ethanone, 1-(7-methoxy-2-benzofuranyl)- (9CI)

Molecular Formula: C11H10O3Molecular Weight: 190.195300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: MUUMFANQVPWPFY-UHFFFAOYSA-N

• 5-Fluoro-2-hydroxyacetophenone
IUPAC Name: 1-(5-fluoro-2-hydroxyphenyl)ethanone | CAS Registry Number: 394-32-1
Synonyms: 2-Hydroxy-5-fluoroacetophenone, 5'-Fluoro-2'-hydroxyacetophenone, 247170_ALDRICH, NSC46624, EINECS 206-893-5, Acetophenone, 5'-fluoro-2'-hydroxy-, CID95992, BRN 2359087, ZINC00152766, 1-(5-Fluoro-2-hydroxyphenyl)ethan-1-one, LS-13540, ST5331353, 4-08-00-00325 (Beilstein Handbook Reference)

Molecular Formula: C8H7FO2Molecular Weight: 154.138383 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KOFFXZYMDLWRHX-UHFFFAOYSA-N

• 3-(3-Aminophenyl)propionic Acid
IUPAC Name: 3-amino-3-phenylpropanoic acid | CAS Registry Number: 1664-54-6
Synonyms: (2H)Formaldehyde, DL-beta-Phenylalanine, 3-Phenyl-beta-alanine, 3A3PPA, beta-Phenyl-beta-alanine, DL-beta-Homophenylglycine, CBMicro_033522, beta-Aminohydrocinnamic acid, 3-Amino-3-phenylpropionic acid, Benzenepropanoic acid, 3-amino-, 159492_ALDRICH, dl-3-Amino-3-phenylpropionic acid, 71552_FLUKA, ZERO/001726, AKE-BBV-096424, NSC1979, dl-.beta.-Phenyl-.beta.-alanine, Benzenepropanoic acid, beta-amino-, 3-AMINO-3-PHENYLPROPANOIC ACID, CID69189

Molecular Formula: C9H11NO2Molecular Weight: 165.189140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: UJOYFRCOTPUKAK-UHFFFAOYSA-N

• 3-Ethylphenyl Isothiocyanate
IUPAC Name: 1-ethyl-3-isothiocyanatobenzene | CAS Registry Number: 19241-20-4
Synonyms: 3-Ethylphenyl isothiocyanate, 1-Ethyl-3-isothiocyanatobenzene, MolPort-000-150-292, ZINC02390092, CID140502, BBV-104663, FS000844

Molecular Formula: C9H9NSMolecular Weight: 163.239460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: FRMFJQIVPNSSPX-UHFFFAOYSA-N

• 3,4-Dimethylbenzyl chloride
IUPAC Name: 4-(chloromethyl)-1,2-dimethylbenzene | CAS Registry Number: 102-46-5
Synonyms: 4-(Chloromethyl)-o-xylene, D150606_ALDRICH, NSC62669, Benzene, 1-(chloromethyl)-3,4-dimethyl-, Benzene, 4-(chloromethyl)-1,2-dimethyl-, 4-(Chloromethyl)-1,2-dimethylbenzene, ALBB-006052, CID66018, EINECS 203-032-5, NSC 62669, ST5214093, TL80073971

Molecular Formula: C9H11ClMolecular Weight: 154.636640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: UBQRAAXAHIKWRI-UHFFFAOYSA-N

• 2-chloro-5-methylbenzoic acid
IUPAC Name: 2-chloro-5-methylbenzoic acid | CAS Registry Number: 6342-60-5
Synonyms: 2-Chloro-5-methylbenozic acid, NSC46623, Benzoic acid, 2-chloro-5-methyl-, CID240430, 2-CHLORO-5-METHYLBENZOIC ACID, ST5407519

Molecular Formula: C8H7ClO2Molecular Weight: 170.592980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LEBWXJZAWTVKFL-UHFFFAOYSA-N

• 3-Chloro-O-Xylene
IUPAC Name: 1-chloro-2,3-dimethylbenzene | CAS Registry Number: 608-23-1
Synonyms: 1-chloro-2,3-dimethylbenzene, 3-Chloro-o-xylene, 3-Chloro-1,2-dimethylbenzene, 2,3-Dimethylchlorobenzene, Benzene, 1-chloro-2,3-dimethyl-, PubChem3638, ACMC-209mme, Benzene, chlorodimethyl-, SureCN251582, AC1L1OM9, 3-CHLORO-ORTHO-XYLENE, 529109_ALDRICH, CTK8B2008, NVLHGZIXTRYOKT-UHFFFAOYSA-, MolPort-001-760-612, ACT12719, ANW-33588, ZINC02013566, AKOS005145660, AG-G-21144

Molecular Formula: C8H9ClMolecular Weight: 140.610060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: NVLHGZIXTRYOKT-UHFFFAOYSA-N

• 2,5-Dimethyl-1H-pyrrole
IUPAC Name: 2,5-dimethyl-1H-pyrrole | CAS Registry Number: 625-84-3
Synonyms: 2,5-Dimethylazole, Pyrrole, 2,5-dimethyl-, 2,5-DIMETHYLPYRROLE, 1H-Pyrrole, 2,5-dimethyl-, Pyrrole,2,5-dimethyl, D183601_ALDRICH, NSC 4507, EINECS 210-913-8, NSC4507, AIDS054754, Pyrrole, 2,5-dimethyl- (8CI), AIDS-054754, ZINC01673420, LS-136918, TL8004195, InChI=1/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H

Molecular Formula: C6H9NMolecular Weight: 95.142360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: PAPNRQCYSFBWDI-UHFFFAOYSA-N

• 2-Aminobenzhydrazide
IUPAC Name: 2-aminobenzohydrazide | CAS Registry Number: 1904-58-1
Synonyms: o-Aminobenzhydrazide, Anthranilic hydrazide, Anthranilohydrazide, Anthraniloyl hydrazide, 2-Aminobenzoylhydrazine, Anthranilic acid hydrazide, 2-Aminobenzohydrazide, o-Aminobenzoic hydrazide, 2NPhCON2, 2-Aminobenzoyl hydrazide, o-Aminobenzoic acid hydrazide, 2-Aminobenzoic acid hydrazide, Anthranilic acid, hydrazide, 2-Aminobenzoic acid, hydrazide, 565490_ALDRICH, ARONIS014347, NSC642, Benzoic acid, 2-amino-, hydrazide, NSC 642, AIDS009034

Molecular Formula: C7H9N3OMolecular Weight: 151.165860 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: GRWMSCBKWMQPON-UHFFFAOYSA-N

• 2-Amino-5-bromobenzoic acid
IUPAC Name: 2-amino-5-bromobenzoic acid | CAS Registry Number: 5794-88-7
Synonyms: 5-Bromoanthranilic acid, Anthranilic acid, 5-bromo-, Benzoic acid, 2-amino-5-bromo-, 5-Bromo-2-aminobenzoic acid, MLS000595061, 260118_ALDRICH, 07145_FLUKA, EINECS 227-338-3, NSC97201, BRN 0639028, LS-20453, SMR000184444, TL806222, ST5306845, A-5100, 4-14-00-01081 (Beilstein Handbook Reference), InChI=1/C7H6BrNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11, SX1

Molecular Formula: C7H6BrNO2Molecular Weight: 216.032040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: CUKXRHLWPSBCTI-UHFFFAOYSA-N

• 3-Chlorostyrene
IUPAC Name: 1-chloro-3-ethenylbenzene | CAS Registry Number: 2039-85-2
Synonyms: Styrene, m-chloro-, M-CHLOROSTYRENE, Styrene, 3-chloro-, Ambap2887, Benzene, 1-chloro-3-ethenyl-, 1-Chloro-3-vinylbenzene, C71009_ALDRICH, Styrene, m-chloro- (8CI), HSDB 3452, NSC18602, EINECS 218-024-7, NSC 18602, Benzene, 1-chloro-3-ethenyl- (9CI)

Molecular Formula: C8H7ClMolecular Weight: 138.594180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: BOVQCIDBZXNFEJ-UHFFFAOYSA-N

• 2-Chlorostyrene
IUPAC Name: 1-chloro-2-ethenylbenzene | CAS Registry Number: 2039-87-4
Synonyms: O-CHLOROSTYRENE, Chlorostyrene, Styrene, o-chloro-, ortho-Chlorostyrene, Stryene, o-chloro-, Styrene, 2-chloro-, Ambap1421, 1-Chloro-2-vinylbenzene, Benzene, 1-chloro-2-ethenyl-, CCRIS 4598, HSDB 3450, 160679_ALDRICH, EINECS 218-026-8, NSC 18601, NSC18601, BRN 2038863, LS-988, Benzene, 1-chloro-2-ethenyl- (9CI), NCGC00091054-01, 4-05-00-01345 (Beilstein Handbook Reference)

Molecular Formula: C8H7ClMolecular Weight: 138.594180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ISRGONDNXBCDBM-UHFFFAOYSA-N

• 1-Bromo-2,5-dichlorobenzene
IUPAC Name: 2-bromo-1,4-dichlorobenzene | CAS Registry Number: 1435-50-3
Synonyms: Benzene, brominated chlorinated, Benzene, 2-bromo-1,4-dichloro-, Benzene, brominated and chlorinated, EINECS 215-859-9, EINECS 271-525-2, 2-BROMO-1,4-DICHLOROBENZENE, ST5405430, InChI=1/C6H3BrCl2/c7-5-3-4(8)1-2-6(5)9/h1-3, 68583-99-3

Molecular Formula: C6H3BrCl2Molecular Weight: 225.898020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: OVXVQBCRONSPDC-UHFFFAOYSA-N

• 2-Chloro-5-iodobenzoic acid
IUPAC Name: 2-chloro-5-iodobenzoic acid | CAS Registry Number: 19094-56-5
Synonyms: SBB064075, AG-E-39416, PubChem3649, AC1LASRN, ACMC-209eug, SureCN305505, KSC174I1H, 2-Chloro-5-iodo-benzoic acid, 5-Iodo-2-chlorobenzoic acid;, 631736_ALDRICH, Jsp003921, Benzoicacid, 2-chloro-5-iodo-, CTK0H4413, MolPort-000-153-152, ACT07777, BUTTPARK 100\01-43, ANW-23510, STL377354, AKOS002341055, AC-3935

Molecular Formula: C7H4ClIO2Molecular Weight: 282.462930 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GEBYSTBEDVQOTK-UHFFFAOYSA-N

• 2-Bromo-4-Methylphenylthiourea
IUPAC Name: (2-bromo-4-methylphenyl)thiourea | CAS Registry Number: 66644-79-9
Synonyms: 2-bromo-4-methylphenylthiourea, AC1N1V29, CTK5C4999, (2-bromo-4-methylphenyl)thiourea, MolPort-003-855-237, AKOS002986873, AG-G-51473, 1-(2-Bromo-4-methylphenyl)-2-thiourea, KB-86692, FT-0611465, I09-2305

Molecular Formula: C8H9BrN2SMolecular Weight: 245.139460 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: QBTARKBNALVKLA-UHFFFAOYSA-N

• 4-Allylthiosemicarbazide
IUPAC Name: 1-amino-3-prop-2-enylthiourea | CAS Registry Number: 3766-55-0
Synonyms: Allylthiosemicarbazide, Allythiosemicarbazide, N-Allylthiosemicarbazide, 4-Allyl-3-thiosemicarbazide, WLN: ZMYUS&M2U1, ALLYL THIOSEMICARBAZIDE, SEMICARBAZIDE, 4-ALLYL-3-THIO-, Hydrazinecarbothioamide, N-2-propenyl-, NSC75830, EINECS 223-186-7, NSC 75830, BRN 1751645, STK397858, ZINC01701820, CID1551250, N-(prop-2-en-1-yl)hydrazinecarbothioamide, LS-144853, Hydrazinecarbothioamide, N-2-propenyl- (9CI), 4-04-00-01074 (Beilstein Handbook Reference), T0511-0594

Molecular Formula: C4H9N3SMolecular Weight: 131.199360 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 1

InChIKey: CZLPCLANGIXFIE-UHFFFAOYSA-N

• 2-Chlorothiophene-5-formic acid
IUPAC Name: 5-chlorothiophene-2-carboxylic acid | CAS Registry Number: 24065-33-6
Synonyms: 5-Chloro-2-thiophenecarboxylic acid, Maybridge3_003717, 5-Chlorothiophene-2-carboxylic acid, 633003_ALDRICH, 2-Thiophenecarboxylic acid, 5-chloro-, NSC 14776, AIDS018342, AIDS-018342, ALBB-000787, NSC14776, BRN 0118361, SBB003937, AI3-61740, IDI1_015104, LS-152999, 5-18-06-00177 (Beilstein Handbook Reference)

Molecular Formula: C5H3ClO2SMolecular Weight: 162.594120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QZLSBOVWPHXCLT-UHFFFAOYSA-N

• 2-Bromo-5-fluorotoluene
IUPAC Name: 1-bromo-4-fluoro-2-methylbenzene | CAS Registry Number: 452-63-1
Synonyms: 3-Fluoro-6-bromotoluene, 365009_ALDRICH, NSC88287, EINECS 207-203-5, ZINC00160133, TL806299, ST5405135, InChI=1/C7H6BrF/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H

Molecular Formula: C7H6BrFMolecular Weight: 189.024943 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: RJPNVPITBYXBNB-UHFFFAOYSA-N

• 4-Benyloxybenzaldehyde
IUPAC Name: 4-(phenylmethoxy)benzaldehyde | CAS Registry Number: 4397-53-9
Synonyms: 4-(Benzyloxy)benzaldehyde, p-(Benzyloxy)benzaldehyde, 4-Benzyloxybenzaldehyde, Benzaldehyde, p-(benzyloxy)-, Benzaldehyde, 4-(phenylmethoxy)-, CBMicro_014912, 4-phenylmethoxy-benzaldehyde, 123714_ALDRICH, 13619_FLUKA, NSC28298, EINECS 224-527-2, NSC 28298, NSC131669, SBB000526, ZINC00119353, Benzaldehyde, p-(benzyloxy)- (8CI), NSC 131669, BIM-0014979.P001, 5570-82-1

Molecular Formula: C14H12O2Molecular Weight: 212.243880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZVTWZSXLLMNMQC-UHFFFAOYSA-N

• 4-Diethylamino-Benzoic Acid Hydrazide
IUPAC Name: 4-(diethylamino)benzohydrazide | CAS Registry Number: 100139-54-6
Synonyms: 4-(diethylamino)benzohydrazide, Oprea1_494949, MLS000878138, MolPort-000-154-210, ZINC02574323, ALBB-002669, STK426092, CID2063864, SMR000377068, T5297994

Molecular Formula: C11H17N3OMolecular Weight: 207.272180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: PUNSOBLTEWFAMJ-UHFFFAOYSA-N

• 3,4-Dimethoxybenzyl isothiocyanate
IUPAC Name: 4-(isothiocyanatomethyl)-1,2-dimethoxybenzene | CAS Registry Number: 14596-50-0
Synonyms: ZINC02528114, CID2758400, FS000038

Molecular Formula: C10H11NO2SMolecular Weight: 209.264840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: MTKPIGBIMQONMN-UHFFFAOYSA-N

• 2-(3-Methoxyphenyl)acetonitrile
IUPAC Name: 3-chloro-2-methylphenol | CAS Registry Number: 3260-87-5
Synonyms: 3-Chloro-o-cresol, 3-Chloro-2-methylphenol, o-Cresol, 3-chloro-, 2-Chloro-6-hydroxytoluene, NCIOpen2_000657, Phenol, 3-chloro-2-methyl-, o-Cresol, 3-chloro- (8CI), NSC74916, CID14856, EINECS 221-861-0, NSC 74916, ZINC01673209, Phenol, 3-chloro-2-methyl- (9CI), BBV-5105735

Molecular Formula: C7H7ClOMolecular Weight: 142.582880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: WADQOGCINABPRT-UHFFFAOYSA-N

• 2-Chloro-4-Methylphenyl Isothiocyanate
IUPAC Name: 2-chloro-1-isothiocyanato-4-methylbenzene | CAS Registry Number: 57878-93-0
Synonyms: 2-Chloro-4-methylphenyl isothiocyanate, ZINC00153322, CID143529, 2-Chloro-1-isothiocyanato-4-methylbenzene, BBV-213391

Molecular Formula: C8H6ClNSMolecular Weight: 183.657940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: UIZZXGXTVVWRED-UHFFFAOYSA-N

• 4-Bromo-3-methylphenyl isothiocyanate
IUPAC Name: 1-bromo-4-isothiocyanato-2-methylbenzene | CAS Registry Number: 71672-88-3
Synonyms: ZINC02168966, 1-Bromo-4-isothiocyanato-o-toluene, EINECS 275-823-3, CID522425, 1-Bromo-4-isothiocyanato-2-methylbenzene, Benzene, 1-bromo-4-isothiocyanato-2-methyl-

Molecular Formula: C8H6BrNSMolecular Weight: 228.108940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: RXWYFLRAEYPAIV-UHFFFAOYSA-N

• 2-Amino-3,5-dibromo pyrid
IUPAC Name: 3,5-dibromopyridin-2-amine | CAS Registry Number: 35486-42-1
Synonyms: 2-Amino-3,5-dibromopyridine, Maybridge1_001693, 3,5-dibromo-2-pyridinylamine, 3,5-Dibromo-2-pyridylamine, MLS000702186, 180505_ALDRICH, 2-Pyridinamine, 3,5-dibromo-, AIDS020446, AIDS-020446, EINECS 252-590-6, NSC170846, SBB000910, A149, SMR000224601, TL8002635, AC-907/30003001

Molecular Formula: C5H4Br2N2Molecular Weight: 251.906660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WJMJWMSWJSACSN-UHFFFAOYSA-N

• 1-Bromo-4-iodobenzene
IUPAC Name: 1-bromo-4-iodobenzene | CAS Registry Number: 589-87-7
Synonyms: p-Bromoiodobenzene, p-Iodobromobenzene, p-Bromophenyl iodide, Benzene, 1-bromo-4-iodo-, 4-BROMOIODOBENZENE, 238090_ALDRICH, NSC8033, NSC 8033, EINECS 209-662-7, BBV-080402, AI3-09032, InChI=1/C6H4BrI/c7-5-1-3-6(8)4-2-5/h1-4

Molecular Formula: C6H4BrIMolecular Weight: 282.904430 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: UCCUXODGPMAHRL-UHFFFAOYSA-N

• 4-Bromo-2-Fluoroaniline
IUPAC Name: 4-bromo-2-fluoroaniline | CAS Registry Number: 367-24-8
Synonyms: 4-Bromo-2-fluoroaniline, Benzenamine, 4-bromo-2-fluoro-, nchembio.2007.34-comp12, 304220_ALDRICH, ZINC00152960, EINECS 206-685-4, CID123050, B126, TL806376, ST5213767

Molecular Formula: C6H5BrFNMolecular Weight: 190.013003 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GZRMNMGWNKSANY-UHFFFAOYSA-N

• 2-Chloro-5-Nitro Benzoyl Chloride
IUPAC Name: 2-chloro-5-nitrobenzoyl chloride | CAS Registry Number: 25784-91-2
Synonyms: 2-Chloro-5-nitrobenzoyl chloride, Benzoyl chloride, 2-chloro-5-nitro-, ZINC02522758, EINECS 247-262-4, CID117637, InChI=1/C7H3Cl2NO3/c8-6-2-1-4(10(12)13)3-5(6)7(9)11/h1-3

Molecular Formula: C7H3Cl2NO3Molecular Weight: 220.009620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: OGLKKYALUKXVPQ-UHFFFAOYSA-N

• 4-Bromo-2-hydroxybenzoic acid
IUPAC Name: 4-bromo-2-hydroxybenzoic acid | CAS Registry Number: 1666-28-0
Synonyms: Ambap2795, NSC109120, CID268737

Molecular Formula: C7H5BrO3Molecular Weight: 217.016800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: FYAKLZKQJDBBKW-UHFFFAOYSA-N

• 3,5-Dichlorobenzyl chloride
IUPAC Name: 1,3-dichloro-5-(chloromethyl)benzene | CAS Registry Number: 3290-06-0
Synonyms: 1,3-Dichloro-5-(chloromethyl)benzene, SPB 00444, Benzene, 1,3-dichloro-5-(chloromethyl)-

Molecular Formula: C7H5Cl3Molecular Weight: 195.473600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ZFLRKAMKGYNFPH-UHFFFAOYSA-N

• 2-Chloroethyl Isothiocyanate
IUPAC Name: 1-chloro-2-isothiocyanatoethane | CAS Registry Number: 6099-88-3
Synonyms: sGXDLHbaBRkTh@, 2-Chloroethyl thiocyanate, 2-Chloroethyl isothiocyanate, 1-Chloro-2-isothiocyanatoethane, 410594_ALDRICH, ZINC02390110, CID138661

Molecular Formula: C3H4ClNSMolecular Weight: 121.588560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZUWFBQUHBOUPFK-UHFFFAOYSA-N

• 4-Chloro-2-Methylanisole
IUPAC Name: 4-chloro-1-methoxy-2-methylbenzene | CAS Registry Number: 3260-85-3
Synonyms: 4-Chloro-2-methylanisole, 4-Chloro-2-methyl anisole, NSC300882, CID76748, EINECS 221-860-5, ZINC00403511, NSC 300882, Benzene, 4-chloro-1-methoxy-2-methyl-, LT03497723

Molecular Formula: C8H9ClOMolecular Weight: 156.609460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: VDYDAUQHTVCCBX-UHFFFAOYSA-N

• 3-chloro-4-fluorobenzoic acid
IUPAC Name: 3-chloro-4-fluorobenzoic acid | CAS Registry Number: 403-16-7
Synonyms: 3-Chloro-4-fluorobenzoic acid, 369098_ALDRICH, JRD-0326, SBB003796, TL8002929, InChI=1/C7H4ClFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11

Molecular Formula: C7H4ClFO2Molecular Weight: 174.556863 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: PKTSBFXIHLYGEY-UHFFFAOYSA-N

• 2-Bromo-4-isopropylaniline
IUPAC Name: 2-bromo-4-propan-2-ylaniline | CAS Registry Number: 51605-97-1
Synonyms: ZINC00159789, CID521337, ST5408570

Molecular Formula: C9H12BrNMolecular Weight: 214.102280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: WEMDUNBELVTSRP-UHFFFAOYSA-N

• 4-Cyanophenol
IUPAC Name: 4-hydroxybenzonitrile | CAS Registry Number: 767-00-0
Synonyms: 4-Hydroxybenzonitrile, p-Hydroxybenzonitrile, P-CYANOPHENOL, Benzonitrile, 4-hydroxy-, Benzonitrile, p-hydroxy-, phenol derivative, 10, WLN: QR DCN, C7H5NO, C94009_ALDRICH, 4-Hydroxybenzoic acid nitrile, 45528_RIEDEL, 54797_FLUKA, CHEBI:38622, EINECS 212-175-2, NSC 400524, NSC400524, SBB008054, ZINC00388759, 4-HYDROXY-BENZOIC ACID,NITRILE, AI3-52392

Molecular Formula: C7H5NOMolecular Weight: 119.120700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CVNOWLNNPYYEOH-UHFFFAOYSA-N

• 3-Fluorobenzyl Cyanide
IUPAC Name: 2-(3-fluorophenyl)acetonitrile | CAS Registry Number: 10036-43-8
Synonyms: 3-Fluorobenzyl cyanide, 3-Fluorophenylacetonitrile, m-Fluorophenylacetonitrile, Benzeneacetonitrile, 3-fluoro-, (3-Fluorophenyl)acetonitrile, F13355_ALDRICH, M-FLUOROBENZYL CYANIDE, Acetonitrile, (m-fluorophenyl)-, NSC88318, MolPort-000-155-806, CID68145, JRD-0527, EINECS 207-918-2, NSC 88318, ZINC00404417, F0256, I01-2600, I01-5435, 501-00-8, InChI=1/C8H6FN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H

Molecular Formula: C8H6FNMolecular Weight: 135.138343 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DEJPYROXSVVWIE-UHFFFAOYSA-N

• 2-Bromo-5-iodotoluene
IUPAC Name: 1-bromo-4-iodo-2-methylbenzene | CAS Registry Number: 202865-85-8
Synonyms: 1-bromo-4-iodo-2-methylbenzene, PubChem3791, AC1MC3MG, ACMC-1CQ3E, SureCN690777, KSC543O8J, CTK4E3784, MolPort-000-152-142, 1-Bromo-4-iodo-2-methylbenzene;, 4-bromo-1-iodo-2-methyl-benzene, ACT07737, Benzene,1-bromo-4-iodo-2-methyl-, ANW-23998, AKOS015835279, AG-E-48633, AS03372, AK-34004, KB-21476, KB007446, AM20030299

Molecular Formula: C7H6BrIMolecular Weight: 296.931010 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: QSQOGKONVJDRNH-UHFFFAOYSA-N

• 2,6-Dichlorobenzenecarbothioamide
IUPAC Name: 2,6-dichlorobenzenecarbothioamide | CAS Registry Number: 1918-13-4
Synonyms: Chlorothiamide, Chlorthiamide, Chlorthioamide, Chlortiamid, Prefix, CHLORTHIAMID, Chlortiamide, 2,6-Dichlorothiobenzamide, DCBN, Caswell No. 326B, Chlorthiamid [BSI:ISO], Chlortiamide [ISO-French], 2,6-Dichlor-thiobenzamid, Benzamide, 2,6-dichlorothio-, CCRIS 1472, 45398_RIEDEL, Benzenecarbothioamide, 2,6-dichloro-, 2,6-Dichlor-thiobenzamid [German], 2,6-Dichlorobenzenecarbothiamide, 45398_FLUKA

Molecular Formula: C7H5Cl2NSMolecular Weight: 206.092300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 0

InChIKey: KGKGSIUWJCAFPX-UHFFFAOYSA-N

• 2-Fluorophenyl Isothiocyanate
IUPAC Name: 1-fluoro-2-isothiocyanatobenzene | CAS Registry Number: 38985-64-7
Synonyms: o-Fluorophenyl isothiocyanate, 2-Fluorophenyl isothiocyanate, 253693_ALDRICH, 1-Fluoro-2-isothiocyanatobenzene, Benzene, 1-fluoro-2-isothiocyanato-, BB_SC-1853, CID97520, EINECS 254-237-1, NSC129257, o-FLUORO PHENYL ISOTHIOCYANATE, STK801430, ZINC00164776, NSC 129257

Molecular Formula: C7H4FNSMolecular Weight: 153.176763 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OAGDRIUTLPDSMJ-UHFFFAOYSA-N

• 3-Ethoxy-4-hydroxybenzeneacetic acid
IUPAC Name: 2-(3-ethoxy-4-hydroxyphenyl)acetic acid | CAS Registry Number: 80018-50-4
Synonyms: 3-Ethoxy-4-hydroxyphenylacetic acid, 2-(3-ethoxy-4-hydroxyphenyl)acetic acid, Benzenacetic acid, 3-ethoxy-4-hydroxy-, PubChem12537, AC1LAXB2, SureCN1878990, CTK5E7355, MolPort-000-155-095, SBB017743, (3-ethoxy-4-hydroxyphenyl)acetic acid, AKOS006223402, AG-H-20685, Benzeneacetic acid,3-ethoxy-4-hydroxy-, KB-31578, FT-0641744, 2-(3-ethoxy-4-oxidanyl-phenyl)ethanoic acid, C-5374, E-5900, A839807, I04-4102

Molecular Formula: C10H12O4Molecular Weight: 196.199880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: QVXSHYZATYQYGE-UHFFFAOYSA-N

• 5-Chloro-2-Methylbenzoic acid
IUPAC Name: 5-chloro-2-methylbenzoic acid | CAS Registry Number: 7499-06-1
Synonyms: 5-Chloro-o-toluic acid, o-Toluic acid, 5-chloro-, 5-Chloro-2-methylbenzoic acid, Benzoic acid, 5-chloro-2-methyl-, NSC407520, CID82009, 3-CHLORO-6-METHYLBENZOIC ACID, TL8007227

Molecular Formula: C8H7ClO2Molecular Weight: 170.592980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CSAPESWNZDOAFU-UHFFFAOYSA-N

• 1-Benzyl-2-thiourea
IUPAC Name: phenylmethylthiourea | CAS Registry Number: 621-83-0
Synonyms: Benzylthiourea, Thiourea, (phenylmethyl)-, Urea, 1-benzyl-2-thio-, AIDS114927, Amino[benzylamino]methane-1-thione, Thiourea, (phenylmethyl)- (9CI), AIDS-114927, NSC15510, Urea, 1-benzyl-2-thio- (8CI), EINECS 210-709-9, CID737375, NSC 15510, ZINC00167243, ST5409494

Molecular Formula: C8H10N2SMolecular Weight: 166.243400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 0

InChIKey: UCGFRIAOVLXVKL-UHFFFAOYSA-N

• 2,4-Difluorotoluene
IUPAC Name: 2,4-difluoro-1-methylbenzene | CAS Registry Number: 452-76-6
Synonyms: Difluorotoluene, Ambap2874, Benzene, 2,4-difluoro-1-methyl-, 133892_ALDRICH, NSC3465, CID67983, EINECS 207-211-9, TL8003146

Molecular Formula: C7H6F2Molecular Weight: 128.119346 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MPXDAIBTYWGBSL-UHFFFAOYSA-N

• 4-chloro-2-fluorobenzoic acid
IUPAC Name: 4-chloro-2-fluorobenzoic acid | CAS Registry Number: 446-30-0
Synonyms: 4-Chloro-2-fluorobenzoic acid, 436763_ALDRICH, Benzoic acid, 4-chloro-2-fluoro-, 24622_FLUKA, NSC190363, CID99152, JRD-1483, EINECS 207-162-3, SBB003797, TL8003117, InChI=1/C7H4ClFO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11

Molecular Formula: C7H4ClFO2Molecular Weight: 174.556863 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZLPXBWMVZANJJQ-UHFFFAOYSA-N

• 3-Bromostyrene
IUPAC Name: 1-bromo-3-ethenylbenzene | CAS Registry Number: 2039-86-3
Synonyms: 1-Bromo-3-vinylbenzene, Benzene, 1-bromo-3-ethenyl-, 132675_ALDRICH, EINECS 218-025-2, ST5331780, InChI=1/C8H7Br/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H

Molecular Formula: C8H7BrMolecular Weight: 183.045180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: KQJQPCJDKBKSLV-UHFFFAOYSA-N

• 3-Cyano-6-methyl-2-pyridone
IUPAC Name: 6-methyl-2-oxo-1H-pyridine-3-carbonitrile | CAS Registry Number: 4241-27-4
Synonyms: 278246_ALDRICH, 2-hydroxy-6-methylnicotinonitrile, 2-Hydroxy-6-methyl-nicotinonitrile, 3-Cyano-6-methyl-2(1)-pyridone, NSC15124, 3-Cyano-2-hydroxy-6-methylpyridine, EINECS 224-202-5, NSC 15124, ZINC00039564, 3-Cyano-6-methyl-2(1H)-pyridinone, BAS 04382017, Nicotinonitrile, 1,2-dihydro-6-methyl-2-oxo-, 1,2-Dihydro-6-methyl-2-oxonicotinonitrile, ST5275297, ST5331222, 3-Pyridinecarbonitrile, 1,2-dihydro-6-methyl-2-oxo-, AE-842/30162007, 1,2-Dihydro-6-methyl-2-oxo-3-pyridinecarbonitrile, 6-Methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile, Nicotinonitrile, 1,2-dihydro-6-methyl-2-oxo- (8CI)

Molecular Formula: C7H6N2OMolecular Weight: 134.135340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FIMGYEKEYXUTGD-UHFFFAOYSA-N

• 3-Chloro-4-Methylphenyl Isothiocyanate
IUPAC Name: 2-chloro-4-isothiocyanato-1-methylbenzene | CAS Registry Number: 19241-37-3
Synonyms: NSC135813, CID140505, ZINC01722142, 2-Chloro-4-isothiocyanato-1-methylbenzene, 3-Chloro-4-methylphenyl isothiocyanate, NSC 135813, Benzene, 2-chloro-4-isothiocyanato-1-methyl-, T5221643

Molecular Formula: C8H6ClNSMolecular Weight: 183.657940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PQLHTYDGCDDPNU-UHFFFAOYSA-N

• 4-Chloro-2-Methylphenyl Isothiocyanate
IUPAC Name: 4-chloro-1-isothiocyanato-2-methylbenzene | CAS Registry Number: 23165-53-9
Synonyms: 3-Chloro-6-isothiocyanatotoluene, ZINC00153320, CID90021, EINECS 245-472-0, 4-Chloro-1-isothiocyanato-2-methylbenzene, TL00725, Benzene, 4-chloro-1-isothiocyanato-2-methyl-

Molecular Formula: C8H6ClNSMolecular Weight: 183.657940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: XTYLRVPBHHRTMS-UHFFFAOYSA-N


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