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Frinton Laboratories, Inc


Contact: Dr. George Inglessis
Web: http://www.frinton.com
Address: 4204 Sylon Boulevard, Hainesport, New Jersey 08036, USA
Phone: +1-(856)-722-7037 | Fax: +1-(856)-439-1977 | Map/Directions >>

Profile: Frinton Laboratories, Inc. specializes in the field of organic chemistry. We produce organic compounds in quantities from a few grams to a few kilos. Our areas of specialization are aromatic intermediates and liquid crystals. We also offer squaric acid dibutyl ester, salicylaldazine, substituted benzoic acids, benzaldehydes, anilines and anisoles.

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• 4-Butyl-4'-cyanobiphenyl
IUPAC Name: 4-(4-butylphenyl)benzonitrile | CAS Registry Number: 52709-83-8
Synonyms: 4-Cyano-4'-butylbiphenyl, 4'-n-Butyl-4-cyanobiphenyl, 4'-Butyl-4-biphenylcarbonitrile, EINECS 258-119-0, SBB008623, ZINC02135314, 4'-Butyl[1,1'-biphenyl]-4-carbonitrile, FR-2338, [1,1'-Biphenyl]-4-carbonitrile, 4'-butyl-, 4'-Butyl(1,1'-biphenyl)-4-carbonitrile, TL8003466, (1,1'-Biphenyl)-4-carbonitrile, 4'-butyl-

Molecular Formula: C17H17NMolecular Weight: 235.323580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PJPLBHHDTUICNN-UHFFFAOYSA-N

• 4'-Butoxyacetophenone
IUPAC Name: 1-(4-butoxyphenyl)ethanone | CAS Registry Number: 5736-89-0
Synonyms: 4-Butoxyacetophenone, 4-n-Butoxyacetophenone, 1-(4-Butoxyphenyl)ethanone, 540641_ALDRICH, 1-(4-Butoxyphenyl)ethan-1-one, Ethanone, 1-(4-butoxyphenyl)-, ALBB-002870, NSC91024, EINECS 227-248-4, SBB008354, ZINC01586816, FR-1277

Molecular Formula: C12H16O2Molecular Weight: 192.254240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YYLCJWIQUFHYMY-UHFFFAOYSA-N

• 2-Bromoethyl ethyl ether
IUPAC Name: 1-bromo-2-ethoxyethane | CAS Registry Number: 592-55-2
Synonyms: 2-Bromoethoxyethane, 2-Ethoxyethyl bromide, 1-Bromo-2-ethoxyethane, 1-Ethoxy-2-bromoethane, Ether, 2-bromoethyl ethyl, 1-Bromo-2-ethoxyethylene, ETHANE, 1-BROMO-2-ETHOXY-, B66205_ALDRICH, NSC8026, Ether, 2-bromoethyl ethyl (8CI), NSC 8026, EINECS 209-763-6, SBB008332, UN2340, ZINC01586364, FR-1246, AI3-52299, 2-Bromoethyl ethyl ether [UN2340] [Flammable liquid]

Molecular Formula: C4H9BrOMolecular Weight: 153.017660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MMYKTRPLXXWLBC-UHFFFAOYSA-N

• 6-Hydroxycoumarin
IUPAC Name: 6-hydroxychromen-2-one | CAS Registry Number: 6093-68-1
Synonyms: 6-Hydroxycoumaran, Ambap981, 6-Hydroxy-2H-chromen-2-one, 2H-1-Benzopyran-2-one, 6-hydroxy-, 642665_ALDRICH, NSC677227, AIDS147533, 6-Hydroxy-2H-1-benzopyran-2-one, AIDS-147533, NSC226192, InChI=1/C9H6O3/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5,10

Molecular Formula: C9H6O3Molecular Weight: 162.142140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CJIJXIFQYOPWTF-UHFFFAOYSA-N

• 2-(p-Nitrobenzyl)pyridine
IUPAC Name: 2-[(4-nitrophenyl)methyl]pyridine | CAS Registry Number: 620-87-1
Synonyms: Pyridine, 2-(p-nitrobenzyl)-, 2-(4-Nitrobenzyl)pyridine, Oprea1_390663, MLS001360454, NSC31608, NSC 31608, SBB008013, FR-0753, Pyridine, 2-((4-nitrophenyl)methyl)-, Pyridine, 2-[(4-nitrophenyl)methyl]-, SMR001223911

Molecular Formula: C12H10N2O2Molecular Weight: 214.220000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: YBRDBYGCEIDLBX-UHFFFAOYSA-N

• 1,4-Dibenzyloxybenzene
IUPAC Name: 1,4-bis(phenylmethoxy)benzene | CAS Registry Number: 621-91-0
Synonyms: Hydroquinone dibenzyl ether, 1,4-Bis(benzyloxy)benzene, Oprea1_033290, P-BIS(BENZYLOXY)BENZENE, NSC2206, Benzene, 1,4-bis(phenylmethoxy)-, EINECS 210-714-6, SBB007939, ZINC00992830, FR-0624, AI3-14510, AK-918/41700489

Molecular Formula: C20H18O2Molecular Weight: 290.355720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DYULYMCXVSRUPB-UHFFFAOYSA-N

• 3-Methylbiphenyl
IUPAC Name: 1-methyl-3-phenylbenzene | CAS Registry Number: 643-93-6
Synonyms: 3-Phenyltoluene, Biphenyl, 3-methyl-, 1,1'-Biphenyl, 3-methyl-, P36401_ALDRICH, 3-METHYL-1,1'-BIPHENYL, EINECS 211-404-3, FR-2285, ST5405258, TL8004559, InChI=1/C13H12/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h2-10H,1H

Molecular Formula: C13H12Molecular Weight: 168.234380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: NPDIDUXTRAITDE-UHFFFAOYSA-N

• 2-(phenoxymethyl)benzoic acid
IUPAC Name: 2-(phenoxymethyl)benzoic acid | CAS Registry Number: 724-98-1
Synonyms: 2-(Phenoxymethyl)benzoic acid, Benzoic acid, 2-(phenoxymethyl)-, o-(Phenoxymethyl)benzoic acid, EINECS 211-967-5, SBB008075, FR-0847, TL8005064, InChI=1/C14H12O3/c15-14(16)13-9-5-4-6-11(13)10-17-12-7-2-1-3-8-12/h1-9H,10H2,(H,15,16

Molecular Formula: C14H12O3Molecular Weight: 228.243280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YKNORODREYVARM-UHFFFAOYSA-N

• 2-Chloro-1-methyl-2-phenylacetate
IUPAC Name: methyl 2-chloro-2-phenylacetate | CAS Registry Number: 7476-66-6
Synonyms: Methyl chloro(phenyl)acetate, Methyl alpha-chlorophenylacetate, Methyl .alpha.-chlorophenylacetate, NSC401796, SBB007734, FR-0214

Molecular Formula: C9H9ClO2Molecular Weight: 184.619560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XOIOYHPJZJLTGK-UHFFFAOYSA-N

• 9-Phenyl-9-fluorenol
IUPAC Name: 9-phenylfluoren-9-ol | CAS Registry Number: 25603-67-2
Synonyms: 9H-Fluoren-9-ol, 9-phenyl-, 366641_ALDRICH, NSC25984, ZINC04262396, FR-1021, A1088/0051099

Molecular Formula: C19H14OMolecular Weight: 258.313860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: UJPHBDAPVWFPTG-UHFFFAOYSA-N

• 1-Bromo-4-N-Octylbenzene
IUPAC Name: 1-bromo-4-octylbenzene | CAS Registry Number: 51554-93-9
Synonyms: p-Octylbromobenzene, p-Bromophenyloctane, 1-(p-Bromophenyl)octane, CID142854, SBB007672, FR-0086

Molecular Formula: C14H21BrMolecular Weight: 269.220540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: OOZQSVXPBCINJF-UHFFFAOYSA-N

• 1,2-Bis(3-Cyclohexenyl)Ethylene
IUPAC Name: 4-[(E)-2-cyclohex-3-en-1-ylethenyl]cyclohexene | CAS Registry Number: 17527-28-5
Synonyms: 1,2-Bis(3-cyclohexenyl)ethylene, 1,3-Bis(3-cyclohexen-1-yl)ethylene,c&t, CID5367508, FR-0941

Molecular Formula: C14H20Molecular Weight: 188.308600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: JLAKTYIHPZLLKX-VAWYXSNFSA-N

• 1,3-Benzodioxole (CAS: 274-04-9)
• 1-Cyanocyclopentene
IUPAC Name: cyclopentene-1-carbonitrile | CAS Registry Number: 3047-38-9
Synonyms: 1-Cyclopentenecarbonitrile, 1-Cyclopentene-1-carbonitrile, CID137808, SBB007727, FR-0201

Molecular Formula: C6H7NMolecular Weight: 93.126480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: XBVZRFXCDCYXAX-UHFFFAOYSA-N

• 1,3-Diacetoxypropane
IUPAC Name: 3-acetyloxypropyl acetate | CAS Registry Number: 628-66-0
Synonyms: Trimethylene acetate, 1,3-Propanediol, diacetate, 1,3-Propylene diacetate, 1,3-Propanediol diacetate, 1,3-Propylene glycol diacetate, NSC227936, SBB008022, FR-0769, AI3-07820

Molecular Formula: C7H12O4Molecular Weight: 160.167780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: DSVGICPKBRQDDX-UHFFFAOYSA-N

• 1,3-Dibenzoylpropane
IUPAC Name: 1,5-di(phenyl)pentane-1,5-dione | CAS Registry Number: 6263-83-8
Synonyms: 1,5-Diphenyl-1,5-pentanedione, Maybridge3_005349, 1,5-Diphenyl-1,5-pentadione, Oprea1_558551, 362069_ALDRICH, NSC46678, 1,5-Pentanedione, 1,5-diphenyl-, CID80432, NSC 46678, SBB008576, ZINC00087591, FR-2283, IDI1_016736, SR-01000639732-1

Molecular Formula: C17H16O2Molecular Weight: 252.307740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YOLLTWVIOASMFW-UHFFFAOYSA-N

• 2,3-Dibromo-3-Phenylpropionic Acid
IUPAC Name: 2,3-dibromo-3-phenylpropanoic acid | CAS Registry Number: 6286-30-2
Synonyms: 2,3-Dibromo-3-phenylpropanoic acid, 2,3-Dibromo-3-phenylpropionic acid, alpha,beta-Dibromohydrocinnamic acid, 2,3-Dibromohydrocinnamic acid, 168440_ALDRICH, EINECS 228-516-3, NSC 10049, .alpha.,.beta.-Dibromohydrocinnamic acid, alpha,beta-Dibromobenzenepropanoic acid, NSC10049, BRN 2050283, NSC176177, Propionic acid, 2,3-dibromo-3-phenyl-, SBB007805, AI3-18459, FR-0373, HYDROCINNAMIC ACID, alpha,beta-DIBROMO-, LS-77166, Benzenepropanoic acid, alpha,beta-dibromo-, EU-0033643

Molecular Formula: C9H8Br2O2Molecular Weight: 307.966620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FXJWTHBNVZNQQP-UHFFFAOYSA-N

• 1,4-Di-Tert-Butyl-2,5-Dimethoxybenzene
IUPAC Name: 1,4-ditert-butyl-2,5-dimethoxybenzene | CAS Registry Number: 7323-63-9
Synonyms: Maybridge4_002997, 1,4-Di-t-Butyl-2,5-dimethoxybenzene, NSC124045, SBB007985, ZINC00173163, 2,5-di-tert-Butyl-1,4-dimethoxybenzene, FR-0705, 1,4-di-tert-Butyl-2,5-dimethoxybenzene, SR-01000637320-1

Molecular Formula: C16H26O2Molecular Weight: 250.376440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ATGCJUULFWEWPY-UHFFFAOYSA-N

• 2-Fluoro-5-trifluoromethylbenzoic Acid
IUPAC Name: 2-fluoro-5-(trifluoromethyl)benzoic acid | CAS Registry Number: 115029-23-7
Synonyms: Maybridge1_006396, 455253_ALDRICH, 2-Fluoro-5-(trifluoromethyl)benzoic acid, JRD-0126, CID688292, ST5319733

Molecular Formula: C8H4F4O2Molecular Weight: 208.109773 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: LIFKXWNFWIUMJT-UHFFFAOYSA-N

• 3,5-Dibenzyloxybenzaldehyde
IUPAC Name: 3,5-bis(phenylmethoxy)benzaldehyde | CAS Registry Number: 14615-72-6
Synonyms: 368105_ALDRICH, Benzaldehyde, 3,5-dibenzyloxy-, ZINC02149644, CID561351, SBB008628, Benzaldehyde, 3,5-bis(phenylmethoxy)-, FR-2345

Molecular Formula: C21H18O3Molecular Weight: 318.365820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: CHUAMRVJSRBRHT-UHFFFAOYSA-N

• 2,7-Dibromofluorene
IUPAC Name: 2,7-dibromo-9H-fluorene | CAS Registry Number: 16433-88-8
Synonyms: Fluorene, 2,7-dibromo-, 9H-Fluorene, 2,7-dibromo-, NCIOpen2_009621, 342297_ALDRICH, NSC90686, SBB007691, FR-0120, TL8001258

Molecular Formula: C13H8Br2Molecular Weight: 324.010620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: AVXFJPFSWLMKSG-UHFFFAOYSA-N

• 3-Fluoro-4-nitroaniline
IUPAC Name: 3-fluoro-4-nitroaniline | CAS Registry Number: 2369-13-3
Synonyms: NSC402983, CID75401, EINECS 219-130-6, TL8001957

Molecular Formula: C6H5FN2O2Molecular Weight: 156.114503 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: KKQPNAPYVIIXFB-UHFFFAOYSA-N

• 4-Dodecyloxybenzaldehyde
IUPAC Name: 4-dodecoxybenzaldehyde | CAS Registry Number: 24083-19-0
Synonyms: p-Dodecyloxybenzaldehyde, p-n-Dodecoxy benzaldehyde, CID141069, SBB008391, FR-1343

Molecular Formula: C19H30O2Molecular Weight: 290.440300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZBEGLEYBWGNZJA-UHFFFAOYSA-N

• 3-Chloro-4-hydroxybenzaldehyde
IUPAC Name: 3-chloro-4-hydroxybenzaldehyde | CAS Registry Number: 2420-16-8
Synonyms: 3-CHLORO-4-HYDROXYBENZALDEHYDE, NCIOpen2_001178, 644188_ALDRICH, Benzaldehyde, 3-chloro-4-hydroxy-, NSC85482, CID17022, NSC 85482, ZINC00163305, Benzaldehyde, 3-chloro-4-hydroxy- (8CI)(9CI), A3009/0126782

Molecular Formula: C7H5ClO2Molecular Weight: 156.566400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: VGSOCYWCRMXQAB-UHFFFAOYSA-N

• 4-Chloro-A-(1-Methylethyl) Benzene Acetic Acid
IUPAC Name: 2-(4-chlorophenyl)-3-methylbutanoic acid | CAS Registry Number: 2012-74-0
Synonyms: Enamine_004948, 2-(p-Chlorophenyl)-3-methylbutyric acid, 537217_ALDRICH, 2-(4-Chlorophenyl)-3-methylbutyric acid, CHEBI:39345, EINECS 217-934-1, alpha-Isopropyl-p-chlorophenylacetic acid, CID16197, .alpha.-(p-Chlorophenyl)isovaleric acid, SBB008321, FR-1226, IDI1_007535, LS-47923, 2-(4-Chlorophenyl)-3-methylbutanoic acid, Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-, BUTYRIC ACID, 2-(p-CHLOROPHENYL)-3-METHYL-, 55291-27-5

Molecular Formula: C11H13ClO2Molecular Weight: 212.672720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: VTJMSIIXXKNIDJ-UHFFFAOYSA-N

• 4,4'-Stilbenedicarboxylic acid
IUPAC Name: 4-[(E)-2-(4-carboxyphenyl)ethenyl]benzoic acid | CAS Registry Number: 100-31-2
Synonyms: Stilbene-4,4'-dicarboxylic acid, EINECS 202-838-4, SBB007944, FR-0633, Benzoic acid, 4,4'-(1,2-ethenediyl)bis-

Molecular Formula: C16H12O4Molecular Weight: 268.264080 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: SBBQDUFLZGOASY-OWOJBTEDSA-N

• 2,5-Dichloroterephthalic acid
IUPAC Name: 2,5-dichloroterephthalic acid | CAS Registry Number: 13799-90-1
Synonyms: Terephthalic acid, 2,5-dichloro-, NSC59392, EINECS 237-454-6, SBB008522, FR-2212, 1,4-Benzenedicarboxylic acid, 2,5-dichloro-, AI3-33425

Molecular Formula: C8H4Cl2O4Molecular Weight: 235.020960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: LMOSYFZLPBHEOW-UHFFFAOYSA-N

• 4-Methyl-3-nitroanisole
IUPAC Name: 4-methoxy-1-methyl-2-nitrobenzene | CAS Registry Number: 17484-36-5
Synonyms: 3-Nitro-4-methylanisole, 4-Methoxy-2-nitrotoluene, Anisole, 4-methyl-3-nitro-, 139823_ALDRICH, 68008_FLUKA, ZINC02567949, CID87137, Benzene, 4-methoxy-1-methyl-2-nitro-, EINECS 241-500-0, SBB008488, FR-2165, ST5406610, TL8001387, InChI=1/C8H9NO3/c1-6-3-4-7(12-2)5-8(6)9(10)11/h3-5H,1-2H

Molecular Formula: C8H9NO3Molecular Weight: 167.161960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: JBORNNNGTJSTLC-UHFFFAOYSA-N

• 4-Decyloxybenzaldehyde
IUPAC Name: 4-decoxybenzaldehyde | CAS Registry Number: 24083-16-7
Synonyms: p-Decyloxybenzaldehyde, 4-(Decyloxy)benzaldehyde, Benzaldehyde, 4-(decyloxy)-, CID141068, SBB008166, FR-0996, InChI=1/C17H26O2/c1-2-3-4-5-6-7-8-9-14-19-17-12-10-16(15-18)11-13-17/h10-13,15H,2-9,14H2,1H

Molecular Formula: C17H26O2Molecular Weight: 262.387140 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WOSYBKJRUQJISL-UHFFFAOYSA-N

• 2,6-Dichlorobenzaloxime
IUPAC Name: (NZ)-N-[(2,6-dichlorophenyl)methylidene]hydroxylamine | CAS Registry Number: 25185-95-9
Synonyms: ZINC00124443

Molecular Formula: C7H5Cl2NOMolecular Weight: 190.026700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YBSXDWIAUZOFFV-WMZJFQQLSA-N

• 1,4-Cyclohexanedicarbohydrazide
IUPAC Name: cyclohexane-1,4-dicarbohydrazide | CAS Registry Number: 27327-67-9
Synonyms: Oprea1_217439, AIDS058507, AIDS-058507, SBB007677, trans-1,4-Cyclohexanedicarbohydrazide, FR-0099, Trans-1,4-cyclohexanedicarboxylic acid, dihydrazide

Molecular Formula: C8H16N4O2Molecular Weight: 200.238240 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: LPLAXQKUDSKKAU-UHFFFAOYSA-N

• 3,6-Dichlorophthalic anhydride
IUPAC Name: 4,7-dichloro-2-benzofuran-1,3-dione | CAS Registry Number: 4466-59-5
Synonyms: 359858_ALDRICH, 3,6-Dichloro-phthalic anhydride, EINECS 224-733-2, 1,3-Isobenzofurandione, 4,7-dichloro-, 4,7-dichloro-2-benzofuran-1,3-dione, FR-2369, InChI=1/C8H2Cl2O3/c9-3-1-2-4(10)6-5(3)7(11)13-8(6)12/h1-2

Molecular Formula: C8H2Cl2O3Molecular Weight: 217.005680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: HEGLMCPFDADCAQ-UHFFFAOYSA-N

• 4-Butoxybenzaldehyde
IUPAC Name: 4-butoxybenzaldehyde | CAS Registry Number: 5736-88-9
Synonyms: p-Butoxybenzaldehyde, Benzaldehyde, 4-butoxy-, Benzaldehyde, p-butoxy-, 238082_ALDRICH, ALBB-001160, EINECS 227-247-9, NSC508762, SBB008007, ZINC01603205, FR-0745, NSC 508762, AI3-05712

Molecular Formula: C11H14O2Molecular Weight: 178.227660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XHWMNHADTZZHGI-UHFFFAOYSA-N

• 4-Bromoisophthalic acid
IUPAC Name: 4-bromobenzene-1,3-dicarboxylic acid | CAS Registry Number: 6939-93-1
Synonyms: TimTec1_004155, 115266_ALDRICH, 1,3-Benzenedicarboxylic acid, 4-bromo-, NSC38770, EINECS 230-078-3, SBB003189, FR-2125

Molecular Formula: C8H5BrO4Molecular Weight: 245.026900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: MSQIEZXCNYUWHN-UHFFFAOYSA-N

• 4-Phenylpyridine
IUPAC Name: 4-phenylpyridine | CAS Registry Number: 939-23-1
Synonyms: 4-PHENYLPYRIDINE, p-Phenylpyridine, Pyridine, 4-phenyl-, AZABIPHENYL, P33429_ALDRICH, 79090_FLUKA, EINECS 213-357-4, NSC 70375, NSC 77935, NSC70375, NSC77935, BRN 0110490, SBB008518, ZINC00967333, FR-2206, LS-131888, 5-20-07-00549 (Beilstein Handbook Reference), AC-907/25014285, InChI=1/C11H9N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-9, 52642-16-7

Molecular Formula: C11H9NMolecular Weight: 155.195860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JVZRCNQLWOELDU-UHFFFAOYSA-N

• 1,4-Cyclohexanedione
IUPAC Name: cyclohexane-1,4-dione | CAS Registry Number: 5637-88-7
Synonyms: 637-88-7, Cyclohexane-1,4-dione, TETRAHYDROQUINONE, 1,4-Dioxocyclohexane, 1,4-Cyclohexandione, cyclohexane-1,4-quinone, DCZFGQYXRKMVFG-UHFFFAOYSA-N, 1,4-cyclohexane-dione, Cyclohexan-1,4-dione, PubChem13686, AC1Q6EIN, ACMC-1B8AR, bmse000513, AC1L1ZR0, KSC356M8T, SCHEMBL150852, 125423_ALDRICH, 29070_FLUKA, CHEBI:28286, CTK2F6689

Molecular Formula: C6H8O2Molecular Weight: 112.126520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DCZFGQYXRKMVFG-UHFFFAOYSA-N

• 1,2,3,4,5,6-Cyclohexanehexacarboxylic Acid
IUPAC Name: cyclohexane-1,2,3,4,5,6-hexacarboxylic acid | CAS Registry Number: 67537-70-6
Synonyms: Hexahydromellitic acid, EINECS 218-699-8, CID102227, SBB008496, 1,2,3,4,5,6-Cyclohexanehexacarboxylic acid, FR-2173, LS-56878, 2216-84-4

Molecular Formula: C12H12O12Molecular Weight: 348.216480 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 12

InChIKey: DTGRIEIJTWNZQF-UHFFFAOYSA-N

• 2,2-DIMETHYL-1,3-CYCLOHEXANEDIONE
IUPAC Name: 2,2-dimethylcyclohexane-1,3-dione | CAS Registry Number: 562-13-0
Synonyms: 2,2-Dimethyl-1,3-cyclohexanedione, 2,2-dimethylcyclohexane-1,3-dione, AG-F-97248, 1,3-Cyclohexanedione, 2,2-dimethyl-, SureCN1549719, AC1LB413, CTK1F5074, AKOS015842125, AK130254, KB-224884, FT-0676000

Molecular Formula: C8H12O2Molecular Weight: 140.179680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: AOPBDTHQAIWWMI-UHFFFAOYSA-N

• 2-Cyano Phenol
IUPAC Name: 2-hydroxybenzonitrile | CAS Registry Number: 611-20-1
Synonyms: Salicylonitrile, o-Cyanophenol, Salicylnitrile, 2-Cyanophenol, 2-Hydroxybenzonitrile, o-Hydoxybenzonitrile, Benzonitrile, 2-hydroxy-, o-Hydroxybenzonitrile, O-CYCANOPHENOL, Benzonitrile, o-hydroxy-, Benzonitrile, hydroxy-, 141038_ALDRICH, AIDS018402, AIDS-018402, NSC53558, EINECS 210-259-3, NSC 53558, SBB007959, ZINC00388252, FR-0652

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

InChIKey: CHZCERSEMVWNHL-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

• 4-Hydroxy Tempo
IUPAC Name: 1-$l^{1}-oxidanyl-2,2,6,6-tetramethylpiperidin-4-ol | CAS Registry Number: 2226-96-2
Synonyms: tempol, Tanol, 4-Oxypiperidol, Nitroxyl 2, 4-Hydroxy-TEMPO, TMPN, HyTEMPO, TPL cpd, HOTMP, Tetramethylpiperidino-N-oxyl, Tetramethylpiperidinol N-oxyl, CCRIS 4555, NR 1, 176141_ALDRICH, C9H19NO2, EINECS 218-760-9, NSC 142784, 2,2,6,6-Tetramethyl-4-piperidinol-N-oxyl, 2,2,6,6-Tetramethylpiperidinol-4-oxyl-1, N-Oxyl-2,2,6,6-tetramethylpiperidine

Molecular Formula: C9H18NO2Molecular Weight: 172.244720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: UZFMOKQJFYMBGY-UHFFFAOYSA-N

• 4-Isobutylacetophenone
IUPAC Name: 1-[4-(2-methylpropyl)phenyl]ethanone | CAS Registry Number: 38861-78-8
Synonyms: p-iso-Butylacetophenone, p-Isobutylacetophenone, 4'-Isobutylacetophenone, Acetophenone, 4-isobutyl-, 4'-(2-Methylpropyl)acetophenone, EINECS 254-159-8, NSC173015, SBB007668, ZINC01697860, FR-0079, NSC 173015, 1-(4-(2-Methylpropyl)phenyl)ethan-1-one, Ethanone, 1-(4-(2-methylpropyl)phenyl)-, Ethanone, 1-[4-(2-methylpropyl)phenyl]-, InChI=1/C12H16O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13/h4-7,9H,8H2,1-3H

Molecular Formula: C12H16OMolecular Weight: 176.254840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: KEAGRYYGYWZVPC-UHFFFAOYSA-N

• 1,3-Bis(3-Aminophenoxy) Benzene
IUPAC Name: 3-[3-(3-aminophenoxy)phenoxy]aniline | CAS Registry Number: 10526-07-5
Synonyms: 1,3-Bis(3-aminophenoxy)benzene, 3,3'-(m-Phenylenedioxy)dianiline, EINECS 234-082-6, SBB008356, ZINC00057118, 3,3'-(m-Phenylenebis(oxy))dianiline, FR-1279, Benzenamine, 3,3'-[1,3-phenylenebis(oxy)]bis-, Benzenamine, 3,3'-(1,3-phenylenebis(oxy))bis-

Molecular Formula: C18H16N2O2Molecular Weight: 292.331840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: DKKYOQYISDAQER-UHFFFAOYSA-N

• 3-Hexenol
IUPAC Name: (Z)-hex-3-en-1-ol | CAS Registry Number: 928-96-1
Synonyms: Leaf alcohol, Blatteralkohol, cis-3-Hexenol, cis-3-Hexen-1-ol, Z-3-Hexenol, 3-Hexen-1-ol, beta-Hexenol, beta-gamma-Hexenol, (Z)-Hex-3-en-1-ol, 3Z-hexenol, 3-Hexen-1-ol, (Z)-, 3-Hexenol, cis-, 3-Hexen-1-ol, cis-, cis-Hex-3-en-1-ol, 3-(Z)-Hexenol, cis-3-Hexene-1-ol, cis-3-Hexenol (natural), (3Z)-hex-3-en-1-ol, .beta.,.gamma.-Hexenol, FEMA No. 2563

Molecular Formula: C6H12OMolecular Weight: 100.158880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: UFLHIIWVXFIJGU-ARJAWSKDSA-N

• 4-OCTYL-4'-CYANOBIPHENYL
IUPAC Name: 4-(4-octylphenyl)benzonitrile | CAS Registry Number: 121479-48-9
Synonyms: 4-Octylcyanodiphenyl, 4-Cyano-4'-octylbiphenyl, K 24 (liquid crystal), 80BF, CB 8, 338680_ALDRICH, 4'-Octyl-4-biphenylcarbonitrile, EINECS 258-120-6, MolPort-001-759-054, K 24, BRN 1913854, CID104289, 4'-Octyl(1,1'-biphenyl)-4-carbonitrile, 4'-Octyl[1,1'-biphenyl]-4-carbonitrile, FR-2221, 4'-Octyl-(1,1'-biphenyl)-4-carbonitrile, LS-44211, (1,1'-Biphenyl)-4-carbonitrile, 4'-octyl-, [1,1'-Biphenyl]-4-carbonitrile, 4'-octyl-, TL8003467

Molecular Formula: C21H25NMolecular Weight: 291.429900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CSQPODPWWMOTIY-UHFFFAOYSA-N

• 1,2,3,4,5,6-CYCLOHEXANEHEXACARBOXYLIC ACID MONOHYDRATE
IUPAC Name: cyclohexane-1,2,3,4,5,6-hexacarboxylic acid | CAS Registry Number: 2216-84-4
Synonyms: Hexahydromellitic acid, EINECS 218-699-8, MolPort-002-501-962, 1,2,3,4,5,6-Cyclohexanehexacarboxylic acid, CID102227, SBB008496, FR-2173, LS-56878, C1427, 67537-70-6

Molecular Formula: C12H12O12Molecular Weight: 348.216480 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 12

InChIKey: DTGRIEIJTWNZQF-UHFFFAOYSA-N

• 3,3-Bis(P-Hydroxyphenyl)Oxindole
IUPAC Name: 3,3-bis(4-hydroxyphenyl)-1H-indol-2-one | CAS Registry Number: 125-13-3
Synonyms: Oxyphenisatin, Oxyphenisatine, Diphenolisatin, Isatinbisphenol, Oxiphenisatinum, Phenolisatin, Propellax, Veripaque, Hoscolax, Neodrast, Normalax, Recolon, Critex, Isolax, Lavema, Dihydroxyphenoloxindol, Oxifenisatina, Oxyphenisatinum, Nourilax, Acetphenolisatin

Molecular Formula: C20H15NO3Molecular Weight: 317.338000 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: SJDACOMXKWHBOW-UHFFFAOYSA-N

• 3-Cyclohexene-1-Carboxylic Acid Methyl Ester
IUPAC Name: methyl cyclohex-3-ene-1-carboxylate | CAS Registry Number: 6493-77-2
Synonyms: Methyl 3-cyclohexenecarboxylate, 1-Carbomethoxy-3-cyclohexene, Methyl 1,2,3,6-tetrahydrobenzoate, Methyl 4-cyclohexenecarboxylate, Methyl cyclohex-3-enecarboxylate, Methyl 3-cyclohexene-1-carboxylate, CID96926, NSC93912, 3-Cyclohexene-1-carboxylic acid, methyl ester, EINECS 229-376-6, OR0842, 1,3-Butadiene-methyl acrylate adduct, FR-0234, AI3-28337, 49543-03-5

Molecular Formula: C8H12O2Molecular Weight: 140.179680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: IPUNVLFESXFVFH-UHFFFAOYSA-N

• 1-Ethoxy-2-Methylpropane
IUPAC Name: 1-ethoxy-2-methylpropane | CAS Registry Number: 627-02-1
Synonyms: Ether, ethyl isobutyl, Ethyl isobutyl ether, Isobutyl ethyl ether, iso-Butyl ethyl ether, 1-Ethoxy-2-methylpropane, Propane, 1-ethoxy-2-methyl-, CID69386, BRN 1731175, Propane, 1-ethoxy-2-methyl- (9CI), FR-0430, LS-67836, 4-01-00-01593 (Beilstein Handbook Reference)

Molecular Formula: C6H14OMolecular Weight: 102.174760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: RQUBQBFVDOLUKC-UHFFFAOYSA-N

• 3'-Trifluoromethyl-2,2-Dimethylvaleranilide
IUPAC Name: 2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]pentanamide | CAS Registry Number: 2300-87-0
Synonyms: ZINC02584461, 3'-Trifluoromethyl-2,2-dimethylvaleranilide, CID137535, FR-0893, 2,2-Dimethyl-N-[3-(trifluoromethyl)phenyl]pentanamide

Molecular Formula: C14H18F3NOMolecular Weight: 273.294030 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: JZGSGKPJMMYYGT-UHFFFAOYSA-N


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