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Shanghai Pesticide Research Institute

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Profile: Shanghai Pesticide Research Institute specializes in providing agrochemcials, fine chemcicals, bio medical and APIs. Agro chemcials include chlorfenapyr, empenthrin, methylamino abamectin, pyrimethanil, flazasulfuron, pendimethalin and diflufenican. Fine chemicals include 2,6-dichloro-5-fluoro-3-pyridinecarbonitrile, 2,6-dichloro-5-fluoronicotinic acid, 2-amino-6-chloropurine, 2-chloro-5-fluoronicotinic acid, 2-chloroacrylic acid and 4-bromo-3-fluorobenzotrifluoride.

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• 3,4-Dihydro-2H-Pyran
IUPAC Name: 3,4-dihydro-2H-pyran | CAS Registry Number: 110-87-2
Synonyms: Dihydro-2H-pyran, DIHYDROPYRAN, 3,4-Dihydro-2H-pyran, 3,4-Dihydropyran, 2H-Pyran, dihydro-, delta2-Dihydropyran, 2H-Pyran, 3,4-dihydro-, 2,3-Dihydro-4H-pyran, Dihydropyran (VAN), 2H-3,4-Dihydropyran, .delta.2-Dihydropyran, 5,6-Dihydro-4H-pyran, Pyran, 2,3-dihydro-, .delta.(Sup2)-Dihydropyran, WLN: T6O BUTJ, D106208_ALDRICH, 37350_FLUKA, NSC57860, NSC73472, EINECS 203-810-4

Molecular Formula: C5H8OMolecular Weight: 84.116420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BUDQDWGNQVEFAC-UHFFFAOYSA-N

• 3-Bromoanisole
IUPAC Name: 1-bromo-3-methoxybenzene | CAS Registry Number: 2398-37-0
Synonyms: m-Bromoanisole, Anisole, m-bromo-, m-Bromomethoxybenzene, m-Methoxybromobenzene, 3-Methoxybromobenzene, 3-Methoxy-1-bromobenzene, Benzene, 1-bromo-3-methoxy-, m-Bromophenyl methyl ether, 1-BROMO-3-METHOXYBENZENE, Anisole, m-bromo- (8CI), B56498_ALDRICH, NSC82293, EINECS 219-264-5, NSC 82293, SBB007886, ZINC00164414, FR-0521, TL8001981, B-5680, B-5700

Molecular Formula: C7H7BrOMolecular Weight: 187.033880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PLDWAJLZAAHOGG-UHFFFAOYSA-N

• (+)-6-Methoxy-Alpha-Methyl-2-Naphthaleneacetic Acid
IUPAC Name: (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | CAS Registry Number: 22204-53-1
Synonyms: NAPROXEN, Equiproxen, Laraflex, Calosen, Reuxen, Bonyl, Axer, d-Naproxen, Novonaprox, Rheumaflex, Saritilron, Acusprain, Anexopen, Arthrisil, Artrixen, Artroxen, Bipronyl, Clinosyn, Danaprox, Flexipen

Molecular Formula: C14H14O3Molecular Weight: 230.259160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CMWTZPSULFXXJA-VIFPVBQESA-N

• 2-Hexanone
IUPAC Name: hexan-2-one | CAS Registry Number: 591-78-6
Synonyms: 2-HEXANONE, Propylacetone, n-Butyl methyl ketone, Hexan-2-one, Hexanone, 2-Oxohexane, Butyl methyl ketone, Hexanone-2, Methyl butyl ketone, Ketone, butyl methyl, Methyl N-butyl ketone, HSDB 543, 47733U_SUPELCO, 2-Hexanone Methyl n-butyl ketone, 103004_ALDRICH, 02473_FLUKA, EINECS 209-731-1, BRN 1737676, ZINC02034597, LS-75436

Molecular Formula: C6H12OMolecular Weight: 100.158880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: QQZOPKMRPOGIEB-UHFFFAOYSA-N

• 3-Fluorophenol
IUPAC Name: 3-fluorophenol | CAS Registry Number: 372-20-3
Synonyms: 3-FLUOROPHENOL, Phenol, 3-fluoro-, m-Fluorophenol, Phenol, m-fluoro-, Ambap4386, 3-FLUORO-PHENOL, NCIOpen2_001026, Phenol, m-fluoro- (8CI), F13002_ALDRICH, Phenol, 3-fluoro- (9CI), 47271_FLUKA, NSC87078, EINECS 206-748-6, NSC 87078, ZINC00164911, F135, TL8002741, InChI=1/C6H5FO/c7-5-2-1-3-6(8)4-5/h1-4,8

Molecular Formula: C6H5FOMolecular Weight: 112.101703 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SJTBRFHBXDZMPS-UHFFFAOYSA-N

• 5-Chloro-2-Pentanone
IUPAC Name: 5-chloropentan-2-one | CAS Registry Number: 5891-21-4
Synonyms: 1-Chloro-4-pentanone, 5-Chloro-2-pentanone, 2-Pentanone, 5-chloro-, 2-Pentanone 5-chloro-, 5-Chloropentan-2-one, 3-Chloropropyl methyl ketone, ACETYLPROPYL CHLORIDE, Methyl 3-chloropropyl ketone, C62603_ALDRICH, NSC 8427, 25791_FLUKA, EINECS 227-565-8, NSC8427, NSC 60210, NSC60210, ZINC01586735, AI3-08709, LS-101919

Molecular Formula: C5H9ClOMolecular Weight: 120.577360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: XVRIEWDDMODMGA-UHFFFAOYSA-N

• 2,6-DichloroPurine
IUPAC Name: 2,6-dichloro-7H-purine | CAS Registry Number: 5451-40-1
Synonyms: 2,6-Dichloropurine, 2, 6-Dichloropurine, Purine, 2,6-dichloro-, 2,6-dichloro-9H-purine, 2,6-Dichloro-1H-purine, 1H-Purine, 2,6-dichloro-, 2,6-DICHLORO PURINE, D73103_ALDRICH, 9H-purine, 2,6-dichloro-, 36390_FLUKA, AIDS021810, BM032, AIDS-021810, NSC18395, EINECS 226-681-6, NSC 18395, SBB000271, ZINC01769175, 1H-Purine, 2,6-dichloro- (9CI), KS-1014

Molecular Formula: C5H2Cl2N4Molecular Weight: 189.002180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: RMFWVOLULURGJI-UHFFFAOYSA-N

• 3,4-DifluoroBenzonitrile
IUPAC Name: 3,4-difluorobenzonitrile | CAS Registry Number: 64248-62-0
Synonyms: 3,4-Difluorobenzonitrile, Benzonitrile, 3,4-difluoro-, 264334_ALDRICH, ZINC00156995, JRD-0434, EINECS 264-751-8, CID587203, TL 00656, TL8004543

Molecular Formula: C7H3F2NMolecular Weight: 139.102226 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: BTBFCBQZFMQBNT-UHFFFAOYSA-N

• 2,4-Dichloro-5-fluoropyrimidine
IUPAC Name: 2,4-dichloro-5-fluoropyrimidine | CAS Registry Number: 2927-71-1
Synonyms: NCIOpen2_000539, 653233_ALDRICH, NSC70442, CID250705, ZINC01696262, Pyrimidine, 5-fluoro-2,4-dichloro-, A3960/0168745

Molecular Formula: C4HCl2FN2Molecular Weight: 166.968543 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: WHPFEQUEHBULBW-UHFFFAOYSA-N

• 2,4-Dinitrophenylhydrazine
IUPAC Name: (2,4-dinitrophenyl)hydrazine | CAS Registry Number: 119-26-6
Synonyms: 2,4-Dnph, dinitrophenylhydrazine, Hydrazine, (2,4-dinitrophenyl)-, (2,4-Dinitrophenyl)hydrazine, 2,4-Dinitrofenylhydrazin, WLN: ZMR BNW DNW, 1-Hydrazino-2,4-dinitrobenzene, 2,4-dinitrophebylhydrazine, CCRIS 3140, D199303_ALDRICH, 2,4-Dinitrofenylhydrazin [Czech], 1-hydrazine-2,4-dinitrobenzene, NSC 5709, 1-(2,4-Dinitrophenyl)hydrazine, 18189_FLUKA, 42210_FLUKA, EINECS 204-309-3, NSC5709, BRN 0615586, ZINC03860431

Molecular Formula: C6H6N4O4Molecular Weight: 198.136240 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: HORQAOAYAYGIBM-UHFFFAOYSA-N

• 2-Cyano Pyridine
IUPAC Name: pyridine-2-carbonitrile | CAS Registry Number: 100-70-9
Synonyms: Picolinonitrile, 2-Cyanopyridine, 2-Pyridyl nitrile, 2-PYRIDINECARBONITRILE, Picolinic acid nitrile, Pyridine-2-carbonitrile, Pyridinecarbonitrile, Picolinonitrile (8CI), C94602_ALDRICH, 2-Pyridinecarboxylic acid, nitrile, CHEBI:27837, HSDB 5338, NSC59697, EINECS 202-880-3, NSC 59697, SBB008920, ZINC00404339, TL8007316, C02221, InChI=1/C6H4N2/c7-5-6-3-1-2-4-8-6/h1-4

Molecular Formula: C6H4N2Molecular Weight: 104.109360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FFNVQNRYTPFDDP-UHFFFAOYSA-N

• 4-Bromophenol
IUPAC Name: 4-bromophenol | CAS Registry Number: 106-41-2
Synonyms: p-Bromophenol, 4-BROMOPHENOL, Phenol, 4-bromo-, Phenol, p-bromo-, p-Bromophenic acid, p-Bromohydroxybenzene, CCRIS 632, B75808_ALDRICH, 442405_SUPELCO, NSC 4970, EINECS 203-394-4, NSC4970, AIDS017751, AIDS-017751, ZINC00404316, AI3-14903, TL806339, LS-104088, ST5214520, C14453

Molecular Formula: C6H5BrOMolecular Weight: 173.007300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: GZFGOTFRPZRKDS-UHFFFAOYSA-N

• 1,3-Propanedithiol
IUPAC Name: propane-1,3-dithiol | CAS Registry Number: 109-80-8
Synonyms: Trimethylenedithiol, Dithiotrimethyleneglycol, Trimethylene dimercaptan, Dithiol deriv., Propane-1,3-dithiol, Trimethylenedithioglycol, 1,3-Propanedimercaptan, 1,3-DIMERCAPTOPROPANE, FEMA No. 3588, P50609_ALDRICH, W358800_ALDRICH, NDR-132, CHEBI:44864, EINECS 203-706-9, CID8013, AIDS081871, AIDS-081871, BRN 1071197, ZINC03860693, LS-120787

Molecular Formula: C3H8S2Molecular Weight: 108.225620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ZJLMKPKYJBQJNH-UHFFFAOYSA-N

• 3-(Trifluoromethyl)phenylboronic Acid
IUPAC Name: [3-(trifluoromethyl)phenyl]boronic acid | CAS Registry Number: 1423-26-3
Synonyms: Phenylboronic Acid, 3, 432032_ALDRICH, 3-(Trifluoromethyl)phenylboronic acid, 3-Trifluoromethylphenylboronic acid, BM136, 3-(Trifluoromethyl)benzeneboronic acid, ST5405981, TL8000936

Molecular Formula: C7H6BF3O2Molecular Weight: 189.927550 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: WOAORAPRPVIATR-UHFFFAOYSA-N

• 2,4-Dichlorophenylhydrazine HCL
IUPAC Name: (2,4-dichlorophenyl)hydrazine | CAS Registry Number: 5446-18-4
Synonyms: (2,4-dichlorophenyl)hydrazine, 1-(2,4-Dichlorophenyl)hydrazine, Hydrazine, (2,4-dichlorophenyl)-, ALBB-008833, NSC17186, CID408929, ZINC00085236, A2253/0094888

Molecular Formula: C6H6Cl2N2Molecular Weight: 177.031240 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ZTPAUBJZUBGGEY-UHFFFAOYSA-N

• 4-Hydroxypiperidine
IUPAC Name: piperidin-4-ol | CAS Registry Number: 5382-16-1
Synonyms: 4-Piperidinol, Piperidin-4-ol, 128775_ALDRICH, NSC62083, 56220_FLUKA, BB_SC-2766, CID79341, EINECS 226-373-1, NSC 62083, TL806407, AI3-39158

Molecular Formula: C5H11NOMolecular Weight: 101.146940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HDOWRFHMPULYOA-UHFFFAOYSA-N

• 2-Amino-5-bromobenzonitrile
IUPAC Name: 2-amino-5-bromobenzonitrile | CAS Registry Number: 39263-32-6
Synonyms: 642827_ALDRICH, EINECS 254-387-8, SBB016926, ZINC00730504, D1099, TL80074009, AN-584/43264770

Molecular Formula: C7H5BrN2Molecular Weight: 197.032000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OATYCBHROMXWJO-UHFFFAOYSA-N

• 2-Cyano-3-Methylpyridine
IUPAC Name: 3-methylpyridine-2-carbonitrile | CAS Registry Number: 20970-75-6
Synonyms: 3-Methylpicolinonitrile, Ambap2278, 2-Cyano-3-methylpyridine, 512737_ALDRICH, 3-methyl-2-pyridinecarbonitrile, ZINC00335976, CID819928, C165, AN-584/42118739, InChI=1/C7H6N2/c1-6-3-2-4-9-7(6)5-8/h2-4H,1H

Molecular Formula: C7H6N2Molecular Weight: 118.135940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WBXZCDIZXWDPBL-UHFFFAOYSA-N

• 2-Methyl-5-Ethyl Pyridine
IUPAC Name: 5-ethyl-2-methylpyridine | CAS Registry Number: 104-90-5
Synonyms: Aldehydkollidin, Aldehydine, 5-Ethyl-2-methylpyridine, Aldehydecollidine, 5-Ethyl-2-picoline, 2-Picoline, 5-ethyl-, 2,5-Aldehydine, Pyridine, 5-ethyl-2-methyl-, 3-Ethyl-6-methylpyridine, 5-Ethyl-alpha-picoline, 6-Methyl-3-ethylpyridine, Methyl ethyl pyridine, Collidine, aldehydecollidine, MEP (VAN), 5-Ethyl-.alpha.-picoline, 2-METHYL-5-ETHYLPYRIDINE, FEMA No. 3546, HSDB 5137, W354600_ALDRICH, WLN: T6NJ B1 E2

Molecular Formula: C8H11NMolecular Weight: 121.179640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: NTSLROIKFLNUIJ-UHFFFAOYSA-N

• 3-Chloro-4-Fluorobenzene
IUPAC Name: 2-chloro-1-fluoro-4-nitrobenzene | CAS Registry Number: 350-30-1
Synonyms: 3-Chloro-4-fluoronitrobenzene, 2-Chloro-1-fluoro-4-nitrobenzene, Benzene, 2-chloro-1-fluoro-4-nitro-, 233234_ALDRICH, EINECS 206-499-3, NSC 163894, BRN 1944997, NSC163894, ZINC00586631, LS-29490, TL806155, ST5405086, 4-05-00-00725 (Beilstein Handbook Reference)

Molecular Formula: C6H3ClFNO2Molecular Weight: 175.544923 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DPHCXXYPSYMICK-UHFFFAOYSA-N

• 8-Amino Quinoline
IUPAC Name: quinolin-8-amine | CAS Registry Number: 578-66-5
Synonyms: 8-Quinolinamine, 8-Quinolylamine, 8-AMINOQUINOLINE, Quinoline, 8-amino-, quinolin-8-ylamine, CCRIS 1683, 260789_ALDRICH, NSC 7933, EINECS 209-427-9, NSC7933, NC 066, AIDS020624, AIDS-020624, WR 6920, BRN 0114474, AS-232, ZINC00105176, SDCCGMLS-0065843.P001, LS-141301, TL80073502

Molecular Formula: C9H8N2Molecular Weight: 144.173220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WREVVZMUNPAPOV-UHFFFAOYSA-N

• 2-(1-Methylethoxy)-Phenyl Methylcarbamate
IUPAC Name: (2-propan-2-yloxyphenyl) N-methylcarbamate | CAS Registry Number: 114-26-1
Synonyms: propoxur, Baygon, Aprocarb, Sendran, Propoxylor, Blattanex, Blattosep, Mrowkozol, Propotox, Propoxure, Isocarb, Propyon, Suncide, Boruho, Brygou, Rhoden, Tendex, Bifex, Bolfo, Dalf dust

Molecular Formula: C11H15NO3Molecular Weight: 209.241700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ISRUGXGCCGIOQO-UHFFFAOYSA-N

• 2,6-Xylidine
IUPAC Name: 2,6-dimethylaniline | CAS Registry Number: 87-62-7
Synonyms: 2,6-Dimethylaniline, o-Xylidine, 2,6-XYLIDINE, 2-Amino-m-xylene, Xylylamine, 2,6-Xylylamine, o-Xylidine (VAN), Benzenamine, 2,6-dimethyl-, 2-Amino-1,3-xylene, 2,6-Dimethylbenzenamine, Aniline, 2,6-dimethyl-, 2,6-Dimethylphenylamine, 2-Amino-1,3-dimethylbenzene, 1-Amino-2,6-dimethylbenzene, 2,6-xylidine hydrochloride, CCRIS 2373, 2,6-xylidine, 3H-labeled, NCI-C56188, HSDB 2094, D146005_ALDRICH

Molecular Formula: C8H11NMolecular Weight: 121.179640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: UFFBMTHBGFGIHF-UHFFFAOYSA-N

• 4-Chlorobenzaldehyde
IUPAC Name: 4-chlorobenzaldehyde | CAS Registry Number: 104-88-1
Synonyms: Benzaldehyde, p-chloro-, P-CHLOROBENZALDEHYDE, Benzaldehyde, 4-chloro-, 4-Chlorobenzenaldehyde, PCAD, p-Chlorobenzenecarboxaldehyde, 4-chlorobenzoic aldehyde, CCRIS 857, 112216_ALDRICH, NSC 2078, 23491_FLUKA, EINECS 203-247-4, NSC2078, c0418, LS-382, ZINC00896325, AI3-52280, NCGC00091804-01, ST5213377, C06648

Molecular Formula: C7H5ClOMolecular Weight: 140.567000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: AVPYQKSLYISFPO-UHFFFAOYSA-N

• 4-Fluoro-3-Nitrobenzotrifluoride
IUPAC Name: 1-fluoro-2-nitro-4-(trifluoromethyl)benzene | CAS Registry Number: 367-86-2
Synonyms: FNBT, 4-Fluoro-3-nitrobenzotrifluoride, 3-Nitro-4-fluoro benzotrifluoride, 214337_ALDRICH, 346640_ALDRICH, JRD-0165, NSC10303, EINECS 206-702-5, SBB009902, ZINC00056533, 3-Nitro-alpha,alpha,alpha,4-tetrafluorotoluene, 4,alpha,alpha,alpha-Tetrafluoro-3-nitrotoluene, InChI=1/C7H3F4NO2/c8-5-2-1-4(7(9,10)11)3-6(5)12(13)14/h1-3

Molecular Formula: C7H3F4NO2Molecular Weight: 209.097833 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: HLDFCCHSOZWKAA-UHFFFAOYSA-N

• 5-Nitro-1.3-Benzene Dicarboxylic Acid
IUPAC Name: 5-nitrobenzene-1,3-dicarboxylic acid | CAS Registry Number: 618-88-2
Synonyms: 5-Nitroisophthalic acid, Isophthalic acid, 5-nitro-, 5-NITRO-M-PHTHALIC ACID, N18005_ALDRICH, 73450_FLUKA, 1,3-Benzenedicarboxylic acid, 5-nitro-, 1-Nitrobenzene-3,5-dicarboxylic acid, 5-Nitro-1,3-benzenedicarboxylic acid, AIDS019417, AIDS-019417, NSC66545, EINECS 210-568-3, Isophthalic acid, 5-nitro- (8CI), NSC 66545, 5-Nitrobenzene-1,3-dicarboxylic acid, SL-02131, TL8003971

Molecular Formula: C8H5NO6Molecular Weight: 211.128400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: NBDAHKQJXVLAID-UHFFFAOYSA-N

• 2-(Trifluoromethyl)benzoyl chloride
IUPAC Name: 2-(trifluoromethyl)benzoyl chloride | CAS Registry Number: 312-94-7
Synonyms: NCIOpen2_005226, o-Trifluoromethylbenzoyl chloride, 249483_ALDRICH, JRD-0254, NSC88290, EINECS 206-233-6, NSC 88290, SBB006689, ZINC01847593, alpha,alpha,alpha-Trifluoro-o-toluoyl chloride, TL8002386

Molecular Formula: C8H4ClF3OMolecular Weight: 208.564970 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: MXIUWSYTQJLIKE-UHFFFAOYSA-N

• 2-Methyl-5-chloroanisole
IUPAC Name: 4-chloro-2-methoxy-1-methylbenzene | CAS Registry Number: 40794-04-5
Synonyms: Anisole, 5-chloro-2-methyl-, NSC159042, ZINC01606265

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

InChIKey: RFZOGPABZLMDQW-UHFFFAOYSA-N

• 2-Chloro-2',6'-diethyl-N-(butoxymethyl)acetanilide
IUPAC Name: N-(butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide | CAS Registry Number: 23184-66-9
Synonyms: BUTACHLOR, Machete, Machette, Rasayanchlor, Hiltachlor, Pillarsete, Amichlor, Bilchlor, Butaclor, Delchlor, Butanex, Weedout, Mach-Mach, Delchlor 5G, Machete (herbicide), Dow Formula 40, Gormel's Weed Kil, Caswell No. 119B, Home Use Weed Killer, Butachlor [ANSI:BSI:ISO]

Molecular Formula: C17H26ClNO2Molecular Weight: 311.846840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HKPHPIREJKHECO-UHFFFAOYSA-N

• 3-Hydroxy Acetophenone
IUPAC Name: 1-(3-hydroxyphenyl)ethanone | CAS Registry Number: 121-71-1
Synonyms: m-Acetylphenol, m-Hydroxyacetophenone, 3'-Hydroxyacetophenone, 3-ACETYLPHENOL, 3-Hydroxyacetophenone, Acetophenone, 3'-hydroxy-, Ethanone, 1-(3-hydroxyphenyl)-, 1-(3-Hydroxyphenyl)ethanone, H18801_ALDRICH, 3-HYDROXY-ACETOPHENONE, 1-(3-Hydroxyphenyl)ethan-1-one, 328103_ALDRICH, 54170_FLUKA, NSC2440, AIDS017967, Acetophenone, 3'-hydroxy- (8CI), AIDS-017967, NSC 2440, EINECS 204-494-0, ZINC00157435

Molecular Formula: C8H8O2Molecular Weight: 136.147920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LUJMEECXHPYQOF-UHFFFAOYSA-N

• 4-Hydroxybenzaldehyde
IUPAC Name: 4-hydroxybenzaldehyde | CAS Registry Number: 123-08-0
Synonyms: p-Hydroxybenzaldehyde, 4-hydroxybenzaldehyde, p-Formylphenol, 4-Formylphenol, p-Oxybenzaldehyde, Benzaldehyde, 4-hydroxy-, Benzaldehyde, p-hydroxy-, Parahydroxybenzaldehyde, USAF M-6, WLN: VHR DQ, 4-HYDROXY-BENZALDEHYDE, W398403_ALDRICH, 144088_ALDRICH, CID126, NSC 2127, 54590_FLUKA, CHEBI:17597, EINECS 204-599-1, NSC2127, 1k03

Molecular Formula: C7H6O2Molecular Weight: 122.121340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: RGHHSNMVTDWUBI-UHFFFAOYSA-N

• 2-Hydroxy-4-methoxybenzoic acid
IUPAC Name: 2-hydroxy-4-methoxybenzoic acid | CAS Registry Number: 2237-36-7
Synonyms: 4-Methoxysalicylic acid, NCIOpen2_001552, MLS000517276, 173479_ALDRICH, NSC94304, EINECS 218-801-0, SMR000127395, ST5406741

Molecular Formula: C8H8O4Molecular Weight: 168.146720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: MRIXVKKOHPQOFK-UHFFFAOYSA-N

• 3-Phthalaldehyde
IUPAC Name: benzene-1,3-dicarbaldehyde | CAS Registry Number: 626-19-7
Synonyms: Isophthalaldehyde, m-Phthalaldehyde, Isophtaldehydes [French], 1,3-Benzenedicarboxaldehyde, BENZENEDICARBOXALDEHYDE, Benzene-1,3-dicarboxaldehyde, 115282_ALDRICH, NSC 5092, EINECS 210-935-8, NSC5092, 1,3-Benzenedicarboxaldehyde (9CI), BRN 1561038, ZINC00005774, LS-85181, TL8004212, 4-07-00-02139 (Beilstein Handbook Reference), InChI=1/C8H6O2/c9-5-7-2-1-3-8(4-7)6-10/h1-6, 30025-33-3

Molecular Formula: C8H6O2Molecular Weight: 134.132040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: IZALUMVGBVKPJD-UHFFFAOYSA-N

• 4-Hydroxyphenylboronic Acid pinacol ester
IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol | CAS Registry Number: 269409-70-3
Synonyms: 522570_ALDRICH, BM007, 4-Hydroxyphenylboronic acid pinacol ester, ST5405627, 4-Hydroxyphenylboronic acid pinacol cyclic ester, 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

Molecular Formula: C12H17BO3Molecular Weight: 220.072580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BICZJRAGTCRORZ-UHFFFAOYSA-N

• 4-Chloro-3-Methylbenzoic acid
IUPAC Name: 4-chloro-3-methylbenzoic acid | CAS Registry Number: 7697-29-2
Synonyms: 4-Chloro-3-methylbenzoic acid, m-Toluic acid, 4-chloro-, Benzoic acid, 4-chloro-3-methyl-, NSC137157, ST5408010, TL8005289

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

InChIKey: MRUKIIWRMSYKML-UHFFFAOYSA-N

• 3-Methoxyphenylacetic Acid
IUPAC Name: 2-(3-methoxyphenyl)acetic acid | CAS Registry Number: 1798-09-0
Synonyms: m-Methoxyphenylacetic acid, 3-Methoxyphenylacetic acid, (3-Methoxyphenyl)acetic acid, Benzeneacetic acid, 3-methoxy-, 3-Methoxybenzeneacetic acid, M19007_ALDRICH, ACETIC ACID, (m-METHOXYPHENYL)-, EINECS 217-282-8, BRN 2614004, Benzeneacetic acid, 3-methoxy- (9CI), LS-12418, ST5406154, TL80073588, 4-10-00-00541 (Beilstein Handbook Reference), InChI=1/C9H10O3/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11

Molecular Formula: C9H10O3Molecular Weight: 166.173900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: LEGPZHPSIPPYIO-UHFFFAOYSA-N

• 2,3 Dichlorophenol
IUPAC Name: 2,3-dichlorophenol | CAS Registry Number: 576-24-9
Synonyms: 2,3-DICHLOROPHENOL, Phenol, 2,3-dichloro-, Phenol, dichloro-, DICHLOROPHENOL, Dichlorophenols, solid, Dichlorophenols, liquid, Ambap5765, CCRIS 5902, D69807_ALDRICH, HSDB 4264, 442291U_SUPELCO, EINECS 209-399-8, NSC 60646, NSC60646, BRN 2043615, EINECS 246-693-5, ZINC00388511, LS-1403, NCGC00091161-01, AI3-15332

Molecular Formula: C6H4Cl2OMolecular Weight: 163.001360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: UMPSXRYVXUPCOS-UHFFFAOYSA-N

• 2,3-Dichloro Benzoic Acid
IUPAC Name: 2,3-dichlorobenzoic acid | CAS Registry Number: 50-45-3
Synonyms: 2,3-DICHLOROBENZOIC ACID, Benzoic acid, 2,3-dichloro-, 225339_ALDRICH, 34329_RIEDEL, EINECS 200-039-5, BRN 1946217, SBB003641, AI3-33364, FR-2156, LS-1305, NCGC00091187-01, TL8003347, 4-09-00-00998 (Beilstein Handbook Reference), InChI=1/C7H4Cl2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11

Molecular Formula: C7H4Cl2O2Molecular Weight: 191.011460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QAOJBHRZQQDFHA-UHFFFAOYSA-N

• 2,4-Dimethyl-Nitrobenzene
IUPAC Name: 2,4-dimethyl-1-nitrobenzene | CAS Registry Number: 89-87-2
Synonyms: m-Xylene, 4-nitro-, 4-NITRO-M-XYLENE, 1,3-Dimethyl-4-nitrobenzene, 2,4-Dimethyl-1-nitrobenzene, 4-Nitro-1,3-xylene, 2,4-Dimethylnitrobenzene, Benzene, 2,4-dimethyl-1-nitro-, 1-Nitro-2,4-dimethylbenzene, 4-Nitro-1,3-dimethylbenzene, CCRIS 3120, 171018_ALDRICH, m-Xylene, 4-nitro- (8CI), 40880_FLUKA, EINECS 201-947-4, NSC 50661, NSC50661, ZINC01682072, LS-1902, NCGC00091290-01, NCGC00091290-02

Molecular Formula: C8H9NO2Molecular Weight: 151.162560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BBUPBICWUURTNP-UHFFFAOYSA-N

• 2-Amino-6-Chloropurine
IUPAC Name: 6-chloro-7H-purin-2-amine | CAS Registry Number: 10310-21-1
Synonyms: 6-Chloroguanine, 2-Amino-6-chloropurine, 2-Amino-6-chlorpurine, 6-Chloro-2-aminopurine, Purine, 2-amino-6-chloro-, 1H-Purin-2-amine, 6-chloro-, 6-Chloro-7H-purin-2-ylamine, 109789_ALDRICH, 342300_ALDRICH, EINECS 233-686-7, 6-CHLORO-1H-PURIN-2-AMINE, NSC 29570, AIDS024269, AIDS-024269, NSC29570, SBB003863, ZINC03860888, 1H-Purin-2-amine, 6-chloro- (9CI), LS-126471, C-4110

Molecular Formula: C5H4ClN5Molecular Weight: 169.571760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: RYYIULNRIVUMTQ-UHFFFAOYSA-N

• 2-Chloroacrylonitrile
IUPAC Name: 2-chloroprop-2-enenitrile | CAS Registry Number: 920-37-6
Synonyms: Chloroacrylonitrile, Acrylonitrile, 2-chloro-, 2-Propenenitrile, 2-chloro-, 2-Chloro-2-propenenitrile, WLN: NCYGU1, .alpha.-Chloroacrylonitrile, CCRIS 6869, C22369_ALDRICH, 2-CHLORO-2-PROPENITRILE, EINECS 213-055-2, NSC 511714, CID70198, BRN 0773744, NSC511714, ZINC01603500, LS-14754, InChI=1/C3H2ClN/c1-3(4)2-5/h1H, 4-02-00-01484 (Beilstein Handbook Reference)

Molecular Formula: C3H2ClNMolecular Weight: 87.507680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OYUNTGBISCIYPW-UHFFFAOYSA-N

• 3-(2,2-Dichloroethenyl)-2,2-Dimethylcyclopropanecarboxylic Acid (3-Phenoxyphenyl)-Methyl Ester
IUPAC Name: [3-(phenoxy)phenyl]methyl (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate | CAS Registry Number: 52645-53-1
Synonyms: Permethrin, Elimite, Permethrine, Ambushfog, Chinetrin, Efmethrin, Imperator, Indothrin, Outflank, Permasect, Perthrine, Pynosect, Stomoxin, Stomozan, Acticin, Corsair, Dragnet, Ecsumin, Ectiban, Kaleait

Molecular Formula: C21H20Cl2O3Molecular Weight: 391.287700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: RLLPVAHGXHCWKJ-HKUYNNGSSA-N

• 4-Chloro-3-Nitrobenzotrifluoride
IUPAC Name: 1-chloro-2-nitro-4-(trifluoromethyl)benzene | CAS Registry Number: 121-17-5
Synonyms: CMNT, MNT-Cl, Ambap1616, 3-Nitro-4-chlorobenzotrifluoride, 4-CHLORO-3-NITROBENZOTRIFLUORIDE, CCRIS 2817, C60600_ALDRICH, HSDB 4257, 4-Chloro-3-nitrobenzylidyne fluoride, 2-Chloro-5-(trifluoromethyl)nitrobenzene, 2-Nitro-4-trifluoromethylchlorobenzene, 3-Nitro-4-chlorotrifluoromethylbenzene, NSC 8760, EINECS 204-451-6, NSC8760, Benzotrifluoride, 4-chloro-3-nitro-, UN2307, 4-Chloro-3-nitro-a,a,a-trifluorotoluene, 2-Chloro-5-trifluoromethylnitrobenzene, Benzene, 1-chloro-2-nitro-4-(trifluoromethyl)-

Molecular Formula: C7H3ClF3NO2Molecular Weight: 225.552430 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: TZGFQIXRVUHDLE-UHFFFAOYSA-N

• 4 - Bromobenzaldehyde
IUPAC Name: 4-bromobenzaldehyde | CAS Registry Number: 1122-91-4
Synonyms: 4-Bromobenzaldehyde, p-Bromobenzaldehyde, Benzaldehyde, 4-bromo-, Benzaldehyde, p-bromo-, nchembio.149-comp26, BENZALDEHYDE,4-BROMO, B57400_ALDRICH, EINECS 214-365-0, NSC 21638, NSC21638, SBB007609, ZINC00039555, LS-24929, AB-131/40654019, InChI=1/C7H5BrO/c8-7-3-1-6(5-9)2-4-7/h1-5

Molecular Formula: C7H5BrOMolecular Weight: 185.018000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZRYZBQLXDKPBDU-UHFFFAOYSA-N

• 1-Chloroethyl Chloroformate
IUPAC Name: 1-chloroethyl carbonochloridate | CAS Registry Number: 50893-53-3
Synonyms: ACE-Cl, 1-Chloroethyl chloroformate, CHLOROETHYL CHLOROFORMATE, .alpha.-Chloroethyl chloroformate, 301485_ALDRICH, 23178_FLUKA, EINECS 256-834-2

Molecular Formula: C3H4Cl2O2Molecular Weight: 142.968660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QOPVNWQGBQYBBP-UHFFFAOYSA-N

• 2-Amino-4-Methyl Pyridine
IUPAC Name: 4-methylpyridin-2-amine | CAS Registry Number: 695-34-1
Synonyms: Ascensil, 2-Amino-4-picoline, 4-Picolylamine, Aminton, W 45 Raschig, 2-amino-4-methylpyridine, 4-Methyl-2-pyridinamine, 2-Pyridinamine, 4-methyl-, 4-Methyl-2-pyridylamine, 4-Methyl-2-aminopyridine, 4-PICOLINE, 2-AMINO-, Methyl-4 amino-2-pyridine, nchembio.115-comp6, 4M2AP, alpha-Amino-gamma-picoline, Tocris-1020, Pyridine, 2-amino-4-methyl-, 4-methylpyridin-2-ylamine, WLN: T6NJ BZ D1, 4-METHYLPYRIDIN-2-AMINE

Molecular Formula: C6H8N2Molecular Weight: 108.141120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ORLGLBZRQYOWNA-UHFFFAOYSA-N

• 2,3-Dichloro Benzoyl Chloride
IUPAC Name: 2,3-dichlorobenzoyl chloride | CAS Registry Number: 2905-60-4
Synonyms: Ambap2006, Benzoyl chloride, dichloro-, DICHLOROBENZOYL CHLORIDE, EINECS 246-643-2, HSDB 5901, 2,3-DICHLOROBENZOYL CHLORIDE, Benzoyl chloride, 2,3-dichloro-, EINECS 220-811-5, ZINC05227143, LS-42600, TL8002291, 25134-08-1

Molecular Formula: C7H3Cl3OMolecular Weight: 209.457120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: YBONBWJSFMTXLE-UHFFFAOYSA-N

• 4-Hydroxyphenylboronic Acid
IUPAC Name: (4-hydroxyphenyl)boronic acid | CAS Registry Number: 71597-85-8
Synonyms: 4-Hydroxyphenylboronic acid, 523976_ALDRICH, BM604, (4-HYDROXYPHENYL)BORONIC ACID, TL8005019

Molecular Formula: C6H7BO3Molecular Weight: 137.928980 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: COIQUVGFTILYGA-UHFFFAOYSA-N

• 2-Bromo-4-Chloroanisole
IUPAC Name: 2-bromo-4-chloro-1-methoxybenzene | CAS Registry Number: 60633-25-2
Synonyms: 2-Bromo-4-chloroanisole, 2-Bromo-4-chloro-1-methoxybenzene, CID521935, ZINC02568088, ST5405639, TL8006914

Molecular Formula: C7H6BrClOMolecular Weight: 221.478940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: YJEMGEBDXDPBSP-UHFFFAOYSA-N

• 3,5-Dichlorophenyl isocyantae
IUPAC Name: 1,3-dichloro-5-isocyanatobenzene | CAS Registry Number: 34893-92-0
Synonyms: 3,5-Dichlorophenyl isocyanate, 389056_ALDRICH, Benzene, 1,3-dichloro-5-isocyanato-, 1,3-Dichloro-5-isocyanatobenzene, ZINC00164665, CID94460, EINECS 252-276-9, SB 01467

Molecular Formula: C7H3Cl2NOMolecular Weight: 188.010820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XEFUJGURFLOFAN-UHFFFAOYSA-N


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