Changzhou Zirui Chemical Co., Ltd.

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Profile: Changzhou Zirui Chemical Co., Ltd. manufactures fine chemicals. Our products are tert-butyl chloroacetate, iso-propyl chloroacetate, trimethyl orthopropionate, triethyl orthopropionate, trimethyl orthobutyrate, triethyl orthobutyrate, trimethyl orthovalerate, dimethyl acetylenedicarboxylate and diethyl acetylenedicarboxylate.

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1 [2]

• N,N-Dimethylformamide dimethyl acetal

IUPAC Name: 1,1-dimethoxy-N,N-dimethylmethanamine | CAS Registry Number: 4637-24-5
Synonyms: 1,1-Dimethoxytrimethylamine, Trimethylamine, 1,1-dimethoxy-, Dimethylformamide-dimethylacetal, 140732_ALDRICH, 394963_ALDRICH, Methanamine, 1,1-dimethoxy-N,N-dimethyl-, EINECS 225-063-3, 1,1-dimethoxy-N,N-dimethylmethanamine, 1,1-Dimethoxy-N,N-dimethylmethylamine, SB 00604, TL8003205, D-5200, InChI=1/C5H13NO2/c1-6(2)5(7-3)8-4/h5H,1-4H

Molecular Formula:	C₅H₁₃NO₂	Molecular Weight:	119.162220 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: ZSXGLVDWWRXATF-UHFFFAOYSA-N

• n-Butyl cyanide

IUPAC Name: pentanenitrile | CAS Registry Number: 110-59-8
Synonyms: Pentanenitrile, VALERONITRILE, Butyl cyanide, n-Valeronitrile, 1-Cyanobutane, 1-Butyl cyanide, n-BUTYL CYANIDE, CCRIS 6114, 155098_ALDRICH, 45927_RIEDEL, 94590_FLUKA, EINECS 203-781-8, CID8061, CPD-8862, BRN 1736706, LS-509, ZINC02041071, AI3-30052, NCGC00091673-01, 4-02-00-00875 (Beilstein Handbook Reference)

Molecular Formula:	C₅H₉N	Molecular Weight:	83.131660 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: RFFFKMOABOFIDF-UHFFFAOYSA-N

• N-N-Dimethyl-Aminoacetonitrile

IUPAC Name: 2-(dimethylamino)acetonitrile | CAS Registry Number: 926-64-7
Synonyms: (Dimethylamino)acetonitrile, Dimethylaminoacetonitrile, Acetonitrile, (dimethylamino)-, N-(Cyanomethyl)dimethylamine, Glycinonitrile, N,N-dimethyl-, N,N-Dimethylglycinonitrile, 228540_ALDRICH, WLN: NC1N1&1, DIMETHYYLAMINOACETONITRILE, EINECS 213-140-4, UN2378, NSC 148364, BRN 1735677, EINECS 223-609-5, ACETONITRILE, (DIMETHYLAMINO), NSC148364, AI3-22163, BBV-074124, LS-13255, (Dimethylamino)acetonitrile monohydrochloride

Molecular Formula:	C₄H₈N₂	Molecular Weight:	84.119720 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: PLXBWEPPAAQASG-UHFFFAOYSA-N

• N-Propyl Cyanoacetate

IUPAC Name: propyl 2-cyanoacetate | CAS Registry Number: 14447-15-5
Synonyms: Propyl cyanoacetate, n-Propyl cyanoacetate, Acetic acid, cyano-, propyl ester, EINECS 238-424-5, AI3-32563

Molecular Formula:	C₆H₉NO₂	Molecular Weight:	127.141160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: NLFIMXLLXGTDME-UHFFFAOYSA-N

• Octyl Cyanoacetate

IUPAC Name: octyl 2-cyanoacetate | CAS Registry Number: 15666-97-4
Synonyms: Octyl cyanoacetate, n-Octyl cyanoacetate, AG-E-05520, Octyl 2-cyanoacetate, octyl 2-cyanoethanoate, AC1N9EXJ, 2-cyanoacetic acid octyl ester, 348953_ALDRICH, CTK4C9143, Acetic acid, 2-cyano-,octyl ester, SBB068294, AKOS015843130, RL02018, KB-204296, FT-0659706, A809762, I14-5883, Aceticacid, cyano-, octyl ester (7CI,8CI,9CI);Octyl 2-cyanoacetate;Octylcyanoacetate;

Molecular Formula:	C₁₁H₁₉NO₂	Molecular Weight:	197.274060 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: MBCTWXWDQMXVDF-UHFFFAOYSA-N

• Pancreatin (CAS: 8049-47-6)

• Phenylpropiolic acid

IUPAC Name: 3-phenylprop-2-ynoic acid | CAS Registry Number: 637-44-5
Synonyms: Phenylpropynoic acid, 3-Phenylpropiolic acid, 3-Phenylpropynoic acid, Phenylacetylenecarboxylic acid, Propiolic acid, phenyl-, 3-Phenyl-2-propynoic acid, Propiolic acid, 3-phenyl-, 3-phenylprop-2-ynoic acid, 2-Propynoic acid, 3-phenyl-, P31205_ALDRICH, Phenylacetylene monocarboxylic acid, 78982_FLUKA, Propiolic acid, phenyl- (8CI), ALBB-000973, NSC13669, EINECS 211-285-8, NSC 13669, AI3-17875, ST5208978, TL8004472

Molecular Formula:	C₉H₆O₂	Molecular Weight:	146.142740 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: XNERWVPQCYSMLC-UHFFFAOYSA-N

• Potassium monoethyl malonate

IUPAC Name: 3-ethoxy-3-oxopropanoate | CAS Registry Number: 6148-64-7
Synonyms: ZINC00389716, CID3595298

Molecular Formula:	C₅H₇O₄-	Molecular Weight:	131.106680 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: HGINADPHJQTSKN-UHFFFAOYSA-M

• Propiolic acid methyl ester

IUPAC Name: methyl prop-2-ynoate | CAS Registry Number: 922-67-8
Synonyms: Methyl propynoate, METHYL PROPIOLATE, Methyl ethynecarboxylate, Methyl acetylenecarboxylate, Propiolic acid, methyl ester, 2-Propynoic acid, methyl ester, Propynoic acid, methyl ester, 171859_ALDRICH, 81863_FLUKA, EINECS 213-083-5, Acetylenecarboxylic acid methyl ester, NSC 154164, ALBB-008926, BRN 0605462, NSC154164, ZINC01564788, AI3-37828, 2-Propynoic acid, methyl ester (9CI), SB 01817, LS-123962

Molecular Formula:	C₄H₄O₂	Molecular Weight:	84.073360 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: IMAKHNTVDGLIRY-UHFFFAOYSA-N

• Propyl Chloroacetate

IUPAC Name: propyl 2-chloroacetate | CAS Registry Number: 5396-24-7
Synonyms: Propyl chloroacetate, Chloroacetic acid propyl ester, Acetic acid, chloro-, propyl ester, NSC1205, LTBB002932, CID79378, EINECS 226-411-7, ZINC01591778, AI3-39183

Molecular Formula:	C₅H₉ClO₂	Molecular Weight:	136.576760 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: QJZNRCWAXUGABH-UHFFFAOYSA-N

• Propylene glycol diacetate

IUPAC Name: 1-acetyloxypropan-2-yl acetate | CAS Registry Number: 623-84-7
Synonyms: 1,2-Diacetoxypropane, Propylene diacetate, Propylene acetate, Methylethylene acetate, Methylethylene diacetate, 1,2-Propanediol, diacetate, Propyleneglycol diacetate, DOWANOL PGDA, 1,2-Propanediol diacetate, Propane-1,2-diyl diacetate, 1,2-Propylene glycol diacetate, 1,2-PROPYLENE DIACETATE, HSDB 5507, 528072_ALDRICH, WLN: 1OY1&1OV1, EINECS 210-817-6, NSC 75843, .alpha.-Propylene glycol diacetate, NSC75843, BRN 1768914

Molecular Formula:	C₇H₁₂O₄	Molecular Weight:	160.167780 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: MLHOXUWWKVQEJB-UHFFFAOYSA-N

• Tert-Butyl Chloroacetate

IUPAC Name: tert-butyl 2-chloroacetate | CAS Registry Number: 107-59-5
Synonyms: tert-Butyl chloroacetate, Chloroacetic acid tert-butyl ester, tert-BUTYLCHLOROACETATE, Acetic acid, chloro-, tert-butyl ester, 186791_ALDRICH, EINECS 203-506-1, NSC 87891, Acetic acid, chloro-, 1,1-dimethylethyl ester, CID66052, NSC87891, ZINC02015932, AI3-39154, LS-11271, Acetic acid, chloro-, tert-butyl ester (8CI), T5786447

Molecular Formula:	C₆H₁₁ClO₂	Molecular Weight:	150.603340 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: KUYMVWXKHQSIAS-UHFFFAOYSA-N

• Tert-butyl cyanoacetate

IUPAC Name: tert-butyl 2-cyanoacetate | CAS Registry Number: 1116-98-9
Synonyms: tert-Butyl cyanoacetate, 3-epi-Gibberellin A1, tert-BUTYLCYANO ACETATE, Acetic acid, cyano-, tert-butyl ester, 28440_FLUKA, NSC1072, NSC 1072, EINECS 214-243-7, ZINC01587814, Acetic acid, cyano-, 1,1-dimethylethyl ester, TL8000344, 57710-63-1

Molecular Formula:	C₇H₁₁NO₂	Molecular Weight:	141.167740 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: BFNYNEMRWHFIMR-UHFFFAOYSA-N

• Tertiary Butyl Acetate

IUPAC Name: tert-butyl acetate | CAS Registry Number: 540-88-5
Synonyms: TERT-BUTYL ACETATE, t-Butyl acetate, tert-Butyl ethanoate, Texaco lead appreciator, 1,1-Dimethyl acetate, tert.-Butyl acetate, Acetic acid, tert-butyl ester, 1,1-dimethylethyl acetate, Acetic acid, 1,1-dimethylethyl ester, HSDB 835, B88209_ALDRICH, CCRIS 8999, EINECS 208-760-7, WLN: 1X1&1&OV1, NSC 59719, UN1123, NSC59719, BRN 1699506, ZINC00388665, LS-11209

Molecular Formula:	C₆H₁₂O₂	Molecular Weight:	116.158280 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: WMOVHXAZOJBABW-UHFFFAOYSA-N

• Tetraethyl orthocarbonate

IUPAC Name: triethoxymethoxyethane | CAS Registry Number: 78-09-1
Synonyms: Tetraethoxymethane, triethoxy-methoxy-ethane, 163627_ALDRICH, 75585_FLUKA, NSC28574, EINECS 201-082-2, Orthocarbonic acid, tetraethyl ester, ZINC00388402, Ethane, 1,1',1'',1'''-[methanetetrayltetrakis(oxy)]tetrakis-, Ethane, 1,1',1'',1'''-(methanetetrayltetrakis(oxy))tetrakis-

Molecular Formula:	C₉H₂₀O₄	Molecular Weight:	192.252700 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: CWLNAJYDRSIKJS-UHFFFAOYSA-N

• Trans Chalcone

IUPAC Name: (E)-1,3-di(phenyl)prop-2-en-1-one | CAS Registry Number: 614-47-1
Synonyms: Chalcone, trans-Chalcone, Chalkone, Benzalacetophenone, Cinnamophenone, beta-Benzoylstyrene, (E)-Chalcone, Chalkon, Benzylideneacetophenone, Styryl phenyl ketone, 2-Benzalacetophenone, Phenyl styryl ketone, Benzylidenecetophenone, beta-Phenylacrylophenone, trans-Benzalacetophenone, 3-Phenylacrylophenone, 1,3-Diphenylpropenone, Benzylidene acetophenone, Phenyl trans-styryl ketone, 2-Propen-1-one, 1,3-diphenyl-

Molecular Formula:	C₁₅H₁₂O	Molecular Weight:	208.255180 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: DQFBYFPFKXHELB-VAWYXSNFSA-N

• Tri-n-propyl Orthoformate

IUPAC Name: 1-(dipropoxymethoxy)propane | CAS Registry Number: 621-76-1
Synonyms: Tripropyl orthoformate, tri-n-Propyl orthoformate, 1-(Dipropoxymethoxy)propane, 333344_ALDRICH, 75560_FLUKA, CID69311, EINECS 210-704-1, Orthoformic Acid Tri-n-propyl Ester, ZINC01845939, TL8004055, 1,1',1''-(Methylidynetris(oxy))trispropane

Molecular Formula:	C₁₀H₂₂O₃	Molecular Weight:	190.279880 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: RWNXXQFJBALKAX-UHFFFAOYSA-N

• Trichloro Acetamide

IUPAC Name: 2,2,2-trichloroacetamide | CAS Registry Number: 594-65-0
Synonyms: Trichloroacetamide, 2,2,2-Trichloroacetamide, sNyLGQDJHtQdTaeTp@, WLN: ZVXGGG, Acetamide, alpha-trichloro-, ACETAMIDE, 2,2,2-TRICHLORO-, Acetamide, .alpha.-trichloro-, 217344_ALDRICH, 91070_FLUKA, EINECS 209-849-3, Amid kyseliny trichloroctove [Czech], NSC 16599, NSC16599, BRN 1754028, .alpha.,.alpha.,.alpha.-Trichloroacetamide, ZINC03846891, AI3-15484, LS-10291, 4-02-00-00520 (Beilstein Handbook Reference)

Molecular Formula:	C₂H₂Cl₃NO	Molecular Weight:	162.402380 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: UPQQXPKAYZYUKO-UHFFFAOYSA-N

• Triethyl orthobenzoate

IUPAC Name: triethoxymethylbenzene | CAS Registry Number: 1663-61-2
Synonyms: Ethyl orthobenzoate, Triethylorthobenzoate, Benzene, (triethoxymethyl)-, (Triethoxymethyl)benzene, 75570_ALDRICH, Orthobenzoic acid, triethyl ester, 75570_FLUKA, MolPort-001-784-989, ZINC00391829, CID74268, EINECS 216-771-3, AI3-11563, TL8001277

Molecular Formula:	C₁₃H₂₀O₃	Molecular Weight:	224.296100 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: BQFPCTXLBRVFJL-UHFFFAOYSA-N

• Triethyl orthobutyrate

IUPAC Name: 1,1,1-triethoxybutane | CAS Registry Number: 24964-76-9
Synonyms: Triethyl Orthobutyrate, 1,1,1-Triethoxybutane, NSC646223, Ethyl Orthobutyrate, ACMC-209gg3, AC1L83KU, AC1Q2UO0, AC1Q58JZ, KSC492M1J, Orthobutyric Acid Triethyl Ester, CTK3J2614, MolPort-005-935-806, KST-1B2247, ANW-25585, AR-1B3829, ZINC01630039, AKOS009159014, AG-J-09868, NSC-646223, RL02812

Molecular Formula:	C₁₀H₂₂O₃	Molecular Weight:	190.279880 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: KOPMZTKUZCNGFY-UHFFFAOYSA-N

• Triethyl Orthopropionate

IUPAC Name: 1,1,1-triethoxypropane | CAS Registry Number: 115-80-0
Synonyms: Ethyl orthopropionate, Triethyl orthopropionate, Triethyl o-propionate, Propane, 1,1,1-triethoxy-, 1,1,1-Triethoxypropane, Orthopropionic acid, triethyl ester, Orthopropionic acid ethyl ester, T60607_ALDRICH, NSC5604, CID66995, NSC 5604, EINECS 204-108-0, ZINC00391832, Orthopropionic acid, triethyl ester (8CI), AI3-23844, TL8000466, PROPANE,1,1,1-TRIETHOXY ORTHOPROPIONIC ACID,TRIETHYL ESTER, InChI=1/C9H20O3/c1-5-9(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H

Molecular Formula:	C₉H₂₀O₃	Molecular Weight:	176.253300 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: FGWYWKIOMUZSQF-UHFFFAOYSA-N

• Triisopropyl Orthoformate

IUPAC Name: 2-[di(propan-2-yloxy)methoxy]propane | CAS Registry Number: 4447-60-3
Synonyms: Triisopropylorthoformate, Triisopropyl orthoformate, 415146_ALDRICH, CID78191, EINECS 224-688-9, Orthoformic acid, triisopropyl ester, ZINC00391828, 2,2',2''-(Methylidynetris(oxy))trispropane, Propane, 2,2',2''-(methylidynetris(oxy))tris-, Propane, 2,2',2''-[methylidynetris(oxy)]tris-

Molecular Formula:	C₁₀H₂₂O₃	Molecular Weight:	190.279880 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: FPIVAWNGRDHRSQ-UHFFFAOYSA-N

• Trimethyl Ortho Benzoate

IUPAC Name: trimethoxymethylbenzene | CAS Registry Number: 707-07-3
Synonyms: Methyl orthobenzoate, Trimethyl orthobenzoate, Benzene, (trimethoxymethyl)-, trimethoxy-methyl-benzene, NCIOpen2_000040, Orthobenzoic acid, trimethyl ester, 164534_ALDRICH, NSC67391, EINECS 211-897-5, NSC 67391, Orthobenzoic acid, trimethyl ester (8CI), AI3-11562

Molecular Formula:	C₁₀H₁₄O₃	Molecular Weight:	182.216360 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: IECKAVQTURBPON-UHFFFAOYSA-N

• Trimethyl Orthobutyrate

IUPAC Name: 1,1,1-trimethoxybutane | CAS Registry Number: 43083-12-1
Synonyms: Trimethyl orthobutyrate, 1,1,1-Trimethoxybutane, 254509_ALDRICH, 75571_FLUKA, ortho-n-Butyric acid trimethyl ester, EINECS 256-079-9, CID123512, ZINC00391830, TL8003038

Molecular Formula:	C₇H₁₆O₃	Molecular Weight:	148.200140 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: JAFMOTJMRSZOJE-UHFFFAOYSA-N

• Trimethyl orthopropionate

IUPAC Name: 1,1,1-trimethoxypropane | CAS Registry Number: 24823-81-2
Synonyms: 1,1,1-Trimethoxypropane, Propane, 1,1,1-trimethoxy-, 75604_FLUKA, ZINC00391833

Molecular Formula:	C₆H₁₄O₃	Molecular Weight:	134.173560 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: ZGMNAIODRDOMEK-UHFFFAOYSA-N

• Trimethyl orthovalerate

IUPAC Name: 1,1,1-trimethoxypentane | CAS Registry Number: 13820-09-2
Synonyms: 1,1,1-Trimethoxypentane, Ambap4651, Pentane, 1,1,1-trimethoxy-, Orthovaleric acid, trimethyl ester, 254517_ALDRICH, 75607_FLUKA, EINECS 237-496-5, ZINC02567998, TL8006138

Molecular Formula:	C₈H₁₈O₃	Molecular Weight:	162.226720 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: XUXVVQKJULMMKX-UHFFFAOYSA-N

• Valeramide

IUPAC Name: pentanamide | CAS Registry Number: 626-97-1
Synonyms: Pentanamide, N-VALERAMIDE, Pentanimidic acid, CHEBI:16459, CPD-586, EINECS 210-974-0, LMFA08010002, NSC400223, ZINC01529296, FR-0155, NSC 400223, AI3-24387, TL8004238, C01842, 42861-33-6

Molecular Formula:	C₅H₁₁NO	Molecular Weight:	101.146940 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: IPWFJLQDVFKJDU-UHFFFAOYSA-N

• Valerophenone

IUPAC Name: 1-phenylpentan-1-one | CAS Registry Number: 1009-14-9
Synonyms: Butyl phenyl ketone, Pentanophenone, 1-Phenyl-1-pentanone, 1-Pentanone, 1-phenyl-, 1-phenylpentan-1-one, V659_ALDRICH, CHEBI:36812, NSC58959, EINECS 213-767-3, NSC 58959, ZINC01589684, AI3-09309, ST5406237

Molecular Formula:	C₁₁H₁₄O	Molecular Weight:	162.228260 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: XKGLSKVNOSHTAD-UHFFFAOYSA-N

• 4'-Chlorochalcone

IUPAC Name: (E)-1-(4-chlorophenyl)-3-phenylprop-2-en-1-one | CAS Registry Number: 956-02-5
Synonyms: Chalcone, 4'-chloro-, trans-4'-Chlorochalcone, 558303_ALDRICH, AIDS017946, AIDS-017946, ZINC03894724, LS-123852, ST5308951, 2-Propen-1-one, 1-(4-chlorophenyl)-3-phenyl-, (2E)-1-(4-Chlorophenyl)-3-phenyl-2-propen-1-one

Molecular Formula:	C₁₅H₁₁ClO	Molecular Weight:	242.700240 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: HIINIOLNGCQCSM-IZZDOVSWSA-N

• 2-Chloroacetamide

IUPAC Name: 2-chloroacetamide | CAS Registry Number: 79-07-2
Synonyms: Chloroacetamide, Microcide, Acetamide, 2-chloro-, Mergal AF, 2-Chloroethanamide, Chloracetamid, CHLORACETAMIDE, 2-Chloracetamide, .alpha.-Chloroacetamide, alpha-Chloracetamide, sJYHCaDIKTp@, Chloracetamid [German], USAF DO-29, WLN: ZV1G, C0267_SIGMA, ACETIC ACID,CHLORO,AMIDE, 22790_FLUKA, EINECS 201-174-2, HSDB 7449, NSC8408

Molecular Formula:	C₂H₄ClNO	Molecular Weight:	93.512260 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: VXIVSQZSERGHQP-UHFFFAOYSA-N

• 3,4-Dichlorophenylacetonitrile

IUPAC Name: 2-(3,4-dichlorophenyl)acetonitrile | CAS Registry Number: 3218-49-3
Synonyms: 3,4-Dichlorobenzyl cyanide, 232475_ALDRICH, 35530_FLUKA, (3,4-Dichlorophenyl)acetonitrile, Benzeneacetonitrile, 3,4-dichloro-, EINECS 221-743-9, NSC111725, ZINC00164770, FS000811, AI3-12074, ST5406497, TL8002447, InChI=1/C8H5Cl2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3H

Molecular Formula:	C₈H₅Cl₂N	Molecular Weight:	186.038000 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: QWZNCAFWRZZJMA-UHFFFAOYSA-N

• 4,4'-Dichlorochalcone

IUPAC Name: 1,3-bis(4-chlorophenyl)prop-2-en-1-one | CAS Registry Number: 19672-59-4
Synonyms: NSC122588, CID275632

Molecular Formula:	C₁₅H₁₀Cl₂O	Molecular Weight:	277.145300 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: YMEMCRBNZSLQCQ-UHFFFAOYSA-N

• 3-Butenenitrile

IUPAC Name: but-3-enenitrile | CAS Registry Number: 109-75-1
Synonyms: Allyl cyanide, Vinylacetonitrile, Allylnitrile, 3-Butenonitrile, 3-BUTENENITRILE, 3-Cyanopropene, 3-Butenylnitrile, Propene-3-nitrile, Allylkyanid, but-3-enenitrile, beta-Butenonitrile, .beta.-Butenonitrile, 3-Cyano-1-propene, Acetonitrile, vinyl-, 1-Butene-4-nitrile, Allylkyanid [Czech], 2-Butenol-1, WLN: NC2U1, TL 350, 122793_ALDRICH

Molecular Formula:	C₄H₅N	Molecular Weight:	67.089200 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: SJNALLRHIVGIBI-UHFFFAOYSA-N

• 1-Cyclopropyl-1,3-butanedione

IUPAC Name: 1-cyclopropylbutane-1,3-dione | CAS Registry Number: 21573-10-4
Synonyms: 1-cyclopropylbutane-1,3-dione, 1-Cyclopropyl-1,3-Butandione, zlchem 1163, PubChem21009, SureCN221424, KSC492M0D, 1-Cyclopropyl-1,3-butanedione;, CTK3J2601, ZLD0632, MolPort-011-492-110, ANW-44285, ZINC21304114, AKOS009265119, AG-E-58089, RP08874, AK-84405, KB-152635, AM20090193, BB 0262839, FT-0659532

Molecular Formula:	C₇H₁₀O₂	Molecular Weight:	126.153100 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: KLCGMDWRXACELA-UHFFFAOYSA-N

• 5'-Chloro-2'-hydroxyacetophenone

IUPAC Name: 1-(5-chloro-2-hydroxyphenyl)ethanone | CAS Registry Number: 1450-74-4
Synonyms: 2-Acetyl-4-chlorophenol, 383384_ALDRICH, Acetophenone, 5'-chloro-2'-hydroxy-, NSC46622, CID74061, EINECS 215-916-8, ZINC00153099, ETHANONE, 1-(5-CHLORO-2-HYDROXYPHENYL)-, 1-(5-Chloro-2-hydroxyphenyl)ethan-1-one, ST5331343, InChI=1/C8H7ClO2/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4,11H,1H, 4712-88-3

Molecular Formula:	C₈H₇ClO₂	Molecular Weight:	170.592980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: XTGCUDZCCIRWHL-UHFFFAOYSA-N

• 1,3-Dimethoxybenzene

IUPAC Name: 1,3-dimethoxybenzene | CAS Registry Number: 151-10-0
Synonyms: Benzene, m-dimethoxy-, 3-Methoxyanisole, Dimethyl resorcinol, Benzene, 1,3-dimethoxy-, Dimethylresorcinol, Methoxyanisole, m-, M-DIMETHOXYBENZENE, Resorcinol dimethyl ether, Ambap288, 3,5-Dimethoxybenzonitrile, FEMA No. 2385, W238503_ALDRICH, Dimethylether resorcinolu [Czech], 126306_ALDRICH, NSC 8699, 83610_FLUKA, EINECS 205-783-4, NSC8699, ZINC00388167, AI3-00845

Molecular Formula:	C₈H₁₀O₂	Molecular Weight:	138.163800 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: DPZNOMCNRMUKPS-UHFFFAOYSA-N

• 2-Hydroxy-5-Methyl Acetophenone

IUPAC Name: 1-(2-hydroxy-5-methylphenyl)ethanone | CAS Registry Number: 1450-72-2
Synonyms: o-Acetyl-p-cresol, 1-Hydroxy-2-acetyl-4-methylbenzene, 2-Hydroxy-5-methylacetophenone, NCIOpen2_000252, 2-ACETYL-4-METHYLPHENOL, H37601_ALDRICH, 2'-Hydroxy-5'-methylacetophenone, Ethanone, 1-(2-hydroxy-5-methylphenyl)-, NSC26458, NSC63363, EINECS 215-915-2, ZINC00088245, Acetophenone, 2'-hydroxy-5'-methyl-, SDCCGMLS-0065880.P001, A2494/0106055, InChI=1/C9H10O2/c1-6-3-4-9(11)8(5-6)7(2)10/h3-5,11H,1-2H

Molecular Formula:	C₉H₁₀O₂	Molecular Weight:	150.174500 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: YNPDFBFVMJNGKZ-UHFFFAOYSA-N

• 2,3-Dibromosuccinic acid

IUPAC Name: 2,3-dibromobutanedioic acid | CAS Registry Number: 526-78-3
Synonyms: sym.-Dibromosuccinic acid, Butanedioic acid, 2,3-dibromo-, Succinic acid, 2,3-dibromo-, NCIOpen2_006733, NSC203337, 577790_ALDRICH, (1)-2,3-Dibromosuccinic acid, NSC1904, NSC 1904, EINECS 208-396-9, EINECS 214-210-7, .alpha.,.beta.-Dibromosuccinic acid, NSC100886, Succinic acid, 2,3-dibromo- (8CI), NCI60_001711, ST001363, AI3-07663, Butanedioic acid, 2,3-dibromo-, (R*,S*)-, InChI=1/C4H4Br2O4/c5-1(3(7)8)2(6)4(9)10/h1-2H,(H,7,8)(H,9,10, 1114-00-7

Molecular Formula:	C₄H₄Br₂O₄	Molecular Weight:	275.880160 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: FJWGRXKOBIVTFA-UHFFFAOYSA-N

• 5-chloro Valeronitrile

IUPAC Name: 5-chloropentanenitrile | CAS Registry Number: 6280-87-1
Synonyms: 5-Chlorovaleronitrile, sNxHFHaIUZjp@, 5-Chloropentanenitrile, 5-Chloro-n-valeronitrile, Pentanenitrile, 5-chloro-, Valeronitrile, 5-chloro-, .delta.-Chlorovaleronitrile, C73001_ALDRICH, NSC6156, EINECS 228-481-4, ZINC01693305, AI3-20151

Molecular Formula:	C₅H₈ClN	Molecular Weight:	117.576720 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: JSAWFGSXRPCFSW-UHFFFAOYSA-N

• 4-Chlorochalcone

IUPAC Name: (E)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one | CAS Registry Number: 956-04-7
Synonyms: p-Chlorochalcone, trans-4-Chlorochalcone, p-Chlorostyryl phenyl ketone, 4-Chlorostyryl phenyl ketone, (4-Chlorobenzylidene)acetophenone, CMLDBU00003474, 558311_ALDRICH, EINECS 213-476-1, NSC636920, AIDS102795, NSC 636920, AIDS-102795, BRN 1105953, Chalcone, 4-chloro- (6CI,7CI,8CI), ZINC04242357, 3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one, AI3-19969, 2-Propen-1-one, 3-(4-chlorophenyl)-1-phenyl-, LS-123855, (2E)-3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one

Molecular Formula:	C₁₅H₁₁ClO	Molecular Weight:	242.700240 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: ABGIIXRNMHUKII-DHZHZOJOSA-N

• 2-Chlorochalcone

IUPAC Name: 3-(2-chlorophenyl)-1-phenylprop-2-en-1-one | CAS Registry Number: 22966-11-6
Synonyms: MLS002667767, NSC55783, CID97900, NSC237972, SMR001557526, 3300-67-2

Molecular Formula:	C₁₅H₁₁ClO	Molecular Weight:	242.700240 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: IGSYOTSSTZUGIA-UHFFFAOYSA-N

• 3,4-Dichlorophenylacetic acid

IUPAC Name: 2-(3,4-dichlorophenyl)acetic acid | CAS Registry Number: 5807-30-7
Synonyms: 280003_ALDRICH, Benzeneacetic acid, 3,4-dichloro-, EINECS 227-368-7, NSC132186, SBB003501, NSC 132186, TL80073590, InChI=1/C8H6Cl2O2/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3H,4H2,(H,11,12

Molecular Formula:	C₈H₆Cl₂O₂	Molecular Weight:	205.038040 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: ZOUPGSMSNQLUNW-UHFFFAOYSA-N

• 4-Chlorobutyronitrile

IUPAC Name: 4-chlorobutanenitrile | CAS Registry Number: 628-20-6
Synonyms: 4-Chlorobutanenitrile, Butanenitrile, 4-chloro-, gamma-Chlorobutyronitrile, 1-Chloro-3-cyanopropane, Ambap1466, BUTYRONITRILE, 4-CHLORO-, .gamma.-Chlorobutyronitrile, C30000_ALDRICH, NSC 8410, 24060_FLUKA, EINECS 211-031-6, NSC8410, CID12336, CPD-8863, BRN 1633582, ZINC01586659, AI3-52325, LS-48221, TL8004276, 4-02-00-00827 (Beilstein Handbook Reference)

Molecular Formula:	C₄H₆ClN	Molecular Weight:	103.550140 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: ZFCFBWSVQWGOJJ-UHFFFAOYSA-N