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KHBoddin GmbH

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Profile: Karl H. Boddin Chemiehandel GmbH deals with pharmaceutical chemical products, raw materials and intermediates. We provide animal feed additives, foodstuff additives, raw materials for cosmetics and oil-based primary chemical products. Our product line includes acetanilide, acenaphthene, acetoacetanilide, acetylencarboxylic acid, 2-amino-4,5-dimethoxybenzoic acid, ammonium benzoate, benzalkonium chloride, benzotriazole, benzylacetone, benzyl acetate and 2-n-butylbenzofuran.

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• 2-Isopropyl thiophenol
IUPAC Name: 2-propan-2-ylbenzenethiol | CAS Registry Number: 6262-87-9
Synonyms: 2-Isopropylbenzenethiol, 2-Isopropylthiophenol, 2-isoPropyl Thiophenol, Benzenethiol, o-isopropyl-,, I27503_ALDRICH, Benzenethiol, 2-(1-methylethyl)-, NSC47204, AI3-15525, TL8006786

Molecular Formula: C9H12SMolecular Weight: 152.256580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: QEDRUXIMTJVXFL-UHFFFAOYSA-N

• 2,4-Dimethoxybenzylamine
IUPAC Name: (2,4-dimethoxyphenyl)methanamine | CAS Registry Number: 20781-20-8
Synonyms: 432725_ALDRICH, (2,4-Dimethoxyphenyl)methanamine, ALBB-005348, Benzenemethanamine, 2,4-dimethoxy-, 1-(2,4-dimethoxyphenyl)methanamine, TL8001719, InChI=1/C9H13NO2/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-5H,6,10H2,1-2H

Molecular Formula: C9H13NO2Molecular Weight: 167.205020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QOWBXWFYRXSBAS-UHFFFAOYSA-N

• 2-Methyl-5-Chloro Benzothiazole
IUPAC Name: 5-chloro-2-methyl-1,3-benzothiazole | CAS Registry Number: 1006-99-1
Synonyms: 5-Chloro-2-methylbenzothiazole, USAF EK-P-4382, NSC8453, BENZOTHIAZOLE, 5-CHLORO-2-METHYL-, 545775_ALDRICH, 2-methyl-5-chloro benzothiazole, NSC 8453, EINECS 213-746-9, WLN: T56 BN DSJ C1 HG, CID13873, BRN 0120802, ZINC00294925, 5-CHLORO-2-METHYL BENZOTHIAZOLE, LS-40720, SL-02107, TL8006913, 4-27-00-01086 (Beilstein Handbook Reference), InChI=1/C8H6ClNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H

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

InChIKey: XCALAYIRFYALSX-UHFFFAOYSA-N

• 2-Amino Pyrazine
IUPAC Name: pyrazin-2-amine | CAS Registry Number: 5049-61-6
Synonyms: Aminopyrazine, Pyrazinamine, 2-Aminopyrazine, 2-Pyrazinamine, pyrazin-2-amine, pyrazin-2-ylamine, Pyrazine, 2-amino-, AMINO PYRAZINE, A76958_ALDRICH, 09332_FLUKA, 89132_FLUKA, AIDS021254, Pyrazine, 1,2-dihydro-2-imino-, AIDS-021254, NSC13147, EINECS 225-748-7, ENT 60202, SBB004388, ZINC00967322, AI3-60202

Molecular Formula: C4H5N3Molecular Weight: 95.102600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XFTQRUTUGRCSGO-UHFFFAOYSA-N

• 3-Nitro-4-chloro phenyl methyl sulfone
IUPAC Name: 1-chloro-4-methylsulfonyl-2-nitrobenzene | CAS Registry Number: 97-07-4
Synonyms: 3-Nitro-4-chlorophenyl methyl sulfone, 4-Chloro-3-nitrophenyl methyl sulfone, NSC25818, EINECS 202-557-7, NSC 25818, ZINC01509333, Sulfone, 4-chloro-3-nitrophenyl methyl, 4-CHLORO-3-NITROPHENYLMETHYLSULFONE, Benzene, 1-chloro-4-(methylsulfonyl)-2-nitro-, ST5409549, 1-Chloro-4-(methylsulphonyl)-2-nitrobenzene, Sulfone, 4-chloro-3-nitrophenyl methyl (8CI)

Molecular Formula: C7H6ClNO4SMolecular Weight: 235.644840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: JAANTSGNTKWLFA-UHFFFAOYSA-N

• 2,3-Dimethoxybenzoic Acid
IUPAC Name: 2,3-dimethoxybenzoic acid | CAS Registry Number: 1521-38-6
Synonyms: o-Veratric acid, Benzoic acid, 2,3-dimethoxy-, 2,3-DIMETHOXYBENZOIC ACID, D131407_ALDRICH, o-Veratric acid (6CI,7CI,8CI), EINECS 216-188-4, NSC 406133, CID15204, BRN 2210858, NSC406133, AI3-01432, LS-37120, ST5331796, 4-10-00-01415 (Beilstein Handbook Reference), InChI=1/C9H10O4/c1-12-7-5-3-4-6(9(10)11)8(7)13-2/h3-5H,1-2H3,(H,10,11

Molecular Formula: C9H10O4Molecular Weight: 182.173300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: FODBVCSYJKNBLO-UHFFFAOYSA-N

• 2-Chloro Fluoro Benzene
IUPAC Name: 1-chloro-2-fluorobenzene | CAS Registry Number: 348-51-6
Synonyms: o-Chlorofluorobenzene, o-Fluorochlorobenzene, m-Chlorofluorobenzene, m-Fluorochlorobenzene, 3-Chlorofluorobenzene, Benzene, 1-chloro-2-fluoro-, 1-CHLORO-2-FLUOROBENZENE, 1-Fluoro-2-chlorobenzene, Ambap1418, 1-Chloro-3-fluorobenzene, 1-Fluoro-3-chlorobenzene, Benzene, 1-chloro-3-fluoro-, 162302_ALDRICH, 1-CHLORO-2-FLOUROBENZENE, NSC10270, EINECS 206-476-8, EINECS 210-919-0, NSC 10270, NSC 10271, TL8002595

Molecular Formula: C6H4ClFMolecular Weight: 130.547363 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZCJAYDKWZAWMPR-UHFFFAOYSA-N

• 2-Chloro-6-nitrotoluene
IUPAC Name: 1-chloro-2-methyl-3-nitrobenzene | CAS Registry Number: 83-42-1
Synonyms: Caswell No. 202, 6-Chloro-2-nitrotoluene, Toluene, 2-chloro-6-nitro-, Ambap311, 2-CHLORO-6-NITROTOLUENE, 3-Chloro-2-methylnitrobenzene, Benzene, 1-chloro-2-methyl-3-nitro-, 1-Chloro-2-methyl-3-nitrobenzene, 101699_ALDRICH, 25630_FLUKA, EINECS 201-475-9, NSC 49147, EPA Pesticide Chemical Code 019001, NSC49147, BRN 1239924, ZINC01681234, AI3-00485, LS-154035, ST5406247, 4-05-00-00854 (Beilstein Handbook Reference)

Molecular Formula: C7H6ClNO2Molecular Weight: 171.581040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XCSNRORTQRKCHB-UHFFFAOYSA-N

• 2-Trifluoromethyl thiophenol
IUPAC Name: 2-(trifluoromethyl)benzenethiol | CAS Registry Number: 13333-97-6
Synonyms: 2-(Trifluoromethyl)benzenethiol, 2-(Trifluoromethyl)thiophenol, 2-Mercaptobenzotrifluoride, 2-trifluoromethylthiophenol, SBB066490, 2-(trifluoromethyl)benzene-1-thiol, PubChem6860, ACMC-209brx, AC1MCS2B, SureCN72183, 2-(trifluoromethylthio)phenol, 542660_ALDRICH, CTK3J0579, MolPort-000-147-016, ANW-19531, AKOS005254913, AG-D-67881, RP23941, I243, KB-16094

Molecular Formula: C7H5F3SMolecular Weight: 178.174810 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: XVGQHRKNXSUPEF-UHFFFAOYSA-N

• 2-Bromo-5-benzoylthiophene
IUPAC Name: (5-bromothiophen-2-yl)-phenylmethanone | CAS Registry Number: 31161-46-3
Synonyms: 5-Bromo-2-thienyl phenyl ketone, AIDS018346, AIDS-018346, NSC170817, (5-bromothien-2-yl)(phenyl)methanone, TL8002383, AO-801/41077512

Molecular Formula: C11H7BrOSMolecular Weight: 267.141680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: DHPVOIIUHSEYJY-UHFFFAOYSA-N

• 3-Nitro-4-Methyl Phenol
IUPAC Name: 4-methyl-3-nitrophenol | CAS Registry Number: 2042-14-0
Synonyms: 4-Methyl-3-nitrophenol, 3-NITRO-P-CRESOL, p-Cresol, 3-nitro-, 2-Nitro-4-hydroxytoluene, 3-Nitro-4-methylphenol, 4-Hydroxy-2-nitrotoluene, Phenol, 4-methyl-3-nitro-, 139815_ALDRICH, NSC41205, EINECS 218-044-6, SBB008513, ZINC01672516, FR-2199, 2(OR 4)-METHYL-3-NITROPHENOL, TL806423, M-4257, InChI=1/C7H7NO3/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4,9H,1H, 68137-09-7

Molecular Formula: C7H7NO3Molecular Weight: 153.135380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BQEXDUKMTVYBRK-UHFFFAOYSA-N

• 2-Chloro-4-Pyridine Carbonitrile
IUPAC Name: 2-chloropyridine-4-carbonitrile | CAS Registry Number: 33252-30-1
Synonyms: 2-Chloro-4-cyanopyridine, 4-Cyano-2-chloropyridine, 2-Chloro-isonicotinonitrile, 548227_ALDRICH, 2-Chloro-4-pyridinecarbonitrile, 2-Chloropyridine-4-carbonitrile, 4-Pyridinecarbonitrile, 2-chloro-, ZINC00154100, FS000570, TL806404, 1Y-0715, AC-907/30003049

Molecular Formula: C6H3ClN2Molecular Weight: 138.554420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QRXBTPFMCTXCRD-UHFFFAOYSA-N

• 1,4-Dichlorobenzene
IUPAC Name: 1,4-dichlorobenzene | CAS Registry Number: 106-46-7
Synonyms: p-Dichlorobenzene, Paranuggets, Santochlor, Paracide, Paramoth, Paradow, Evola, Persia-perazol, p-Dichlorobenzol, Globol, dichloricide, Dichlorobenzene, Paradi, 1,4-DICHLOROBENZENE, Di-chloricide, Para crystals, paradichlorobenzene, Para-zene, Dichlorocide, p-Dichlorbenzol

Molecular Formula: C6H4Cl2Molecular Weight: 147.001960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: OCJBOOLMMGQPQU-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

• 3-Fluoro Phenyl Acetic Acid
IUPAC Name: 2-(3-fluorophenyl)acetic acid | CAS Registry Number: 331-25-9
Synonyms: 3-Fluorophenylacetic acid, 3-Fluorophenlacetic acid, m-Fluorophenylacetic acid, (m-Fluorophenyl)acetic acid, Benzeneacetic acid, 3-fluoro-, NCIOpen2_001447, Acetic acid, (m-fluorophenyl)-, 248045_ALDRICH, JRD-0017, NSC88344, EINECS 206-360-7, NSC 88344, TL8002500, PB271215314

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

InChIKey: YEAUYVGUXSZCFI-UHFFFAOYSA-N

• 2-Methoxy Thioanisole
IUPAC Name: 1-methoxy-2-methylsulfanylbenzene | CAS Registry Number: 2388-73-0
Synonyms: 2-Methoxythioanisole, Anisole, o-(methylthio)-, 557528_ALDRICH, Benzene, 1-methoxy-2-(methylthio)-, ZINC00404209

Molecular Formula: C8H10OSMolecular Weight: 154.229400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: YCUXDIFPTHNTSR-UHFFFAOYSA-N

• 4-(methylthio)benzyl chloride
IUPAC Name: 1-(chloromethyl)-4-methylsulfanylbenzene | CAS Registry Number: 874-87-3
Synonyms: 4-(Methylthio)benzyl chloride, 560480_ALDRICH, EINECS 212-870-0, ZINC01845602, 1-(Chloromethyl)-4-(methylthio)benzene, 1-(chloromethyl)-4-(methylsulfanyl)benzene, TL8006799

Molecular Formula: C8H9ClSMolecular Weight: 172.675060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: VWVZFHRDLPHBEG-UHFFFAOYSA-N

• 4-Bromo-2-fluoroanisole
IUPAC Name: 4-bromo-2-fluoro-1-methoxybenzene | CAS Registry Number: 2357-52-0
Synonyms: 293474_ALDRICH, 4-Bromo-2-fluoro-1-methoxybenzene, NSC10329, Benzene, 4-bromo-2-fluoro-1-methoxy-, EINECS 219-096-2, ZINC00409296, ST5405473, TL8001949

Molecular Formula: C7H6BrFOMolecular Weight: 205.024343 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DWNXGZBXFDNKOR-UHFFFAOYSA-N

• 3-Nitro-O-Cresol
IUPAC Name: 2-methyl-3-nitrophenol | CAS Registry Number: 5460-31-1
Synonyms: 2-Methyl-3-nitrophenol, 3-Nitro-o-cresol, Phenol, 2-methyl-3-nitro-, 2-Hydroxy-6-nitrotoluene, 6-Hydroxy-2-nitrotoluene, 106941_ALDRICH, 3-NITRO-2-METHYL PHENOL, NSC25009, EINECS 226-739-0, SBB008485, ZINC00163570, FR-2158, TL8003577, InChI=1/C7H7NO3/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,9H,1H

Molecular Formula: C7H7NO3Molecular Weight: 153.135380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GAKLFAZBKQGUBO-UHFFFAOYSA-N

• 2-Amino-4,6-Dimethoxypyrimidine
IUPAC Name: 4,6-dimethoxypyrimidin-2-amine | CAS Registry Number: 36315-01-2
Synonyms: Maybridge1_002259, 2-Amino-4,6-dimethoxypyrimidine, Oprea1_751622, 375349_ALDRICH, 4,6-Dimethoxypyrimidin-2-amine, 2-Pyrimidinamine, 4,6-dimethoxy-, EINECS 252-969-6, SBB006932, ZINC00132738, SR-01000634114-1

Molecular Formula: C6H9N3O2Molecular Weight: 155.154560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: LVFRCHIUUKWBLR-UHFFFAOYSA-N

• 2,2'-Dithiosalicylic Acid
IUPAC Name: 2-(2-carboxyphenyl)disulfanylbenzoic acid | CAS Registry Number: 119-80-2
Synonyms: Dithiosalicylic acid, 2,2'-Dithiodibenzoic acid, Bis(2-carboxyphenyl) disulfide, 2-Carboxyphenyl disulfide, Bis(o-carboxylphenyl) disulfide, Disulfide benzamide analog, Benzoic acid, 2,2'-dithiobis-, Bis(o-carboxyphenyl) disulfide, 2,2'-Dithiodi(benzoic acid), 2,2'-Dithiosalicylic acid, NSC213, 2,2'-Dithiobis(benzoic acid), MLS001216615, NSC 213, NSC5346, 2,2'-Dithiobis[benzoic acid], 389285_ALDRICH, NSC 5346, 43761_FLUKA, BENZOIC ACID, 2,2'-DITHIODI-

Molecular Formula: C14H10O4S2Molecular Weight: 306.356800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: LBEMXJWGHIEXRA-UHFFFAOYSA-N

• 2,3,5-TribromoThiophene
IUPAC Name: 2,3,5-tribromothiophene | CAS Registry Number: 3141-24-0
Synonyms: 2,3,5-Tribromothiophene, Thiophene, 2,3,5-tribromo-, 172758_ALDRICH, EINECS 221-544-7, NSC263503, ZINC01558394, NSC 263503, AI3-62838, ST5408549, InChI=1/C4HBr3S/c5-2-1-3(6)8-4(2)7/h1

Molecular Formula: C4HBr3SMolecular Weight: 320.827740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: SKDNDSLDRLEELJ-UHFFFAOYSA-N

• 3,4-Dichloro Benzyl Amine
IUPAC Name: (3,4-dichlorophenyl)methanamine | CAS Registry Number: 102-49-8
Synonyms: Benzylamine der, 3,4-Dichlorobenzylamine, Benzylamine, 3,4-dichloro-, Benzenemethanamine, 3,4-dichloro-, D58600_ALDRICH, AIDS107223, AIDS-107223, NSC25065, EINECS 203-035-1, Benzylamine, 3,4-dichloro- (8CI), NSC 25065, 49552-34-3 (HYDROCHLORIDE), ST5406288, InChI=1/C7H7Cl2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H

Molecular Formula: C7H7Cl2NMolecular Weight: 176.043180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: IXHNFOOSLAWRBQ-UHFFFAOYSA-N

• 2,5-Dichlorothiophene
IUPAC Name: 2,5-dichlorothiophene | CAS Registry Number: 3172-52-9
Synonyms: 2,5-DICHLOROTHIOPHENE, 2,-Dichlorothiophene, Thiophene, 2,5-dichloro-, D75807_ALDRICH, AIDS018336, AIDS-018336, NSC60527, EINECS 221-638-8, NSC 60527, ZINC01690277, SB 00617, TL8002424, InChI=1/C4H2Cl2S/c5-3-1-2-4(6)7-3/h1-2

Molecular Formula: C4H2Cl2SMolecular Weight: 153.029680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: FGYBDASKYMSNCX-UHFFFAOYSA-N

• 4-Acetyl diphenyl sulfide
IUPAC Name: 1-(4-phenylsulfanylphenyl)ethanone | CAS Registry Number: 10169-55-8
Synonyms: Maybridge1_003159, MLS000546365, EINECS 233-443-5, NSC158592, ZINC00143028, 1-(4-phenylsulfanyl-phenyl)-ethanone, 1-(4-(Phenylthio)phenyl)ethan-1-one, Ethanone, 1-[4-(phenylthio)phenyl]-, 1-[4-(phenylsulfanyl)phenyl]-1-ethanone, SMR000169535, ST5410550

Molecular Formula: C14H12OSMolecular Weight: 228.309480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: XUDYHODVSUXRPW-UHFFFAOYSA-N

• 4-(Trifluoromethylthio)benzoic acid
IUPAC Name: 4-(trifluoromethylsulfanyl)benzoic acid | CAS Registry Number: 330-17-6
Synonyms: 555487_ALDRICH, JRD-0691, TL8002491

Molecular Formula: C8H5F3O2SMolecular Weight: 222.184310 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: UMOGQQWVQUQTQA-UHFFFAOYSA-N

• 3-Trifluoromethyl Benzoic Acid
IUPAC Name: 3-(trifluoromethyl)benzoic acid | CAS Registry Number: 454-92-2
Synonyms: 3-(Trifluoromethyl)benzoic acid, 3-Carboxybenzotrifluoride, 3-Trifluoromethylbenzoate, m-CARBOXYBENZOTRIFLUORIDE, 188344_ALDRICH, m-(Trifluoromethyl)benzoic acid, 91770_FLUKA, AIDS018130, alpha,alpha,alpha-Trifluoro-m-toluic acid, AIDS-018130, JRD-0051, NSC43025, 3-TRIFLUOROMETHYLBENZOIC ACID, Benzoic acid, 3-(trifluoromethyl)-, EINECS 207-230-2, NSC 43025, SBB003661, alpha,alpha,alpha-Tri-fluoro-m-toluic acid, Benzoic acid, 3-(trifluoromethyl)- (9CI), TL8003158

Molecular Formula: C8H5F3O2Molecular Weight: 190.119310 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: FQXQBFUUVCDIRK-UHFFFAOYSA-N

• 2-Chloro-5-Nitro Pyridine
IUPAC Name: 2-chloro-5-nitropyridine | CAS Registry Number: 4548-45-2
Synonyms: 2-Chloro-5-nitropyridine, Pyridine, 2-chloro-5-nitro-, WLN: T6NJ BG ENW, C61801_ALDRICH, NSC4468, NSC 4468, 25610_FLUKA, EINECS 224-908-3, TOS-BB-0083, AIDS167190, AIDS-167190, CID78308, BRN 0120453, ZINC02564034, AI3-19230, C188, LS-131097, ST5208947, TL8003156, 5-20-05-00452 (Beilstein Handbook Reference)

Molecular Formula: C5H3ClN2O2Molecular Weight: 158.542520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: BAZVFQBTJPBRTJ-UHFFFAOYSA-N

• 2,3,4-Trifluoronitrobenzene
IUPAC Name: 1,2,3-trifluoro-4-nitrobenzene | CAS Registry Number: 771-69-7
Synonyms: Ambap5910, 1,2,3-Trifluoro-4-nitrobenzene, 338362_ALDRICH, 4-Nitro-1,2,3-trifluorobenzene, ZINC01845704, CID69871, EINECS 212-238-4, Benzene, 1,2,3-trifluoro-4-nitro-, T135

Molecular Formula: C6H2F3NO2Molecular Weight: 177.080790 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: ARCACZWMYGILNI-UHFFFAOYSA-N

• 3-Chloro-1 2-Propanediol
IUPAC Name: 3-chloropropane-1,2-diol | CAS Registry Number: 96-24-2
Synonyms: alpha-Chlorohydrin, Epibloc, Monochlorohydrin, Chlorodeoxyglycerol, Monochlorhydrin, Chlorhydrin, Chloropropanediol, Chlorohydrin, Glyceryl chloride, 3-Chloro-1,2-propanediol, Glycerol chlorohydrin, alpha-Chlorohydrine, 3-Chloropropanediol, .alpha.-Chlorohydrin, 3-Chloropropane-1,2-diol, 3-Chloropropylene glycol, Caswell No. 214A, Glycerin epichlorohydrin, Glycerol 3-chlorohydrin, 1,2-Propanediol, 3-chloro-

Molecular Formula: C3H7ClO2Molecular Weight: 110.539480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: SSZWWUDQMAHNAQ-UHFFFAOYSA-N

• 4,4'-Dihydroxy diphenyl thioether
IUPAC Name: 4-(4-hydroxyphenyl)sulfanylphenol | CAS Registry Number: 2664-63-3
Synonyms: Thiobisphenol, 4,4'-Thiodiphenol, 4,4'-Thiobisphenol, Phenol, 4,4'-thiobis-, 4,4-Thiodiphenol, Bis(4-oxyphenyl)sulfide, 4,4'-Thio-diphenol, p,p'-Dihydroxydiphenyl sulfide, 4,4'-Dioxydiphenyl sulfide, Bis(p-hydroxhphenyl) sulfide, 4-Hydroxyphenyl sulfide, PHENOL, 4,4'-THIODI-, 4,4'-Dihydroxydiphenyl sulfide, 4,4'-Dioxydiphenylsulfide, Bis(4-hydroxyphenyl) sulfide, 4,4'-Dihydroxydiphenylsulfide, Sulfide, bis(4-hydroxyphenyl), 4,4'-sulfanediyldiphenol, 4,4-Dihydroxydiphenylsulfide, Oprea1_271899

Molecular Formula: C12H10O2SMolecular Weight: 218.271600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: VWGKEVWFBOUAND-UHFFFAOYSA-N

• 2-MethylNaphthalene
IUPAC Name: 2-methylnaphthalene | CAS Registry Number: 91-57-6
Synonyms: 2-METHYLNAPHTHALENE, beta-Methylnaphthalene, Naphthalene, 2-methyl-, .beta.-Methylnaphthalene, Naphthalene, beta-methyl-, beta-methyl naphthalenes, 2-Naphthylmethyl radical, 2-Methylnaphthalene (beta), M57006_ALDRICH, HSDB 5274, 2-methylnaphthalene, ion(1+), 2-methylnaphthalene, ion(1-), 442359_SUPELCO, 45796_RIEDEL, WLN: L66J C1, NSC 3575, 67890_FLUKA, CHEBI:50720, EINECS 202-078-3, NSC3575

Molecular Formula: C11H10Molecular Weight: 142.197100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: QIMMUPPBPVKWKM-UHFFFAOYSA-N

• 4-Chloro thioanisole
IUPAC Name: 1-chloro-4-methylsulfanylbenzene | CAS Registry Number: 123-09-1
Synonyms: 4-Chlorothioanisole, p-Chlorothioanisole, p-Chlophenyl methyl sulfide, Sulfide, p-chlorophenyl methyl, 4-Chlorophenyl methyl sulfide, Methyl 4-chlorophenyl sulfide, Methyl p-chlorophenyl sulfide, P-CHLOROPHENYL METHYL SULFIDE, CCRIS 6731, Benzene, 1-chloro-4-(methylthio)-, Methyl-p-chlorophenyl sulfide, 549045_ALDRICH, EINECS 204-600-5, 1-CHLORO-4-(METHYLTHIO)BENZENE, NSC 72090, NSC72090, BRN 2041509, ZINC00161046, NCGC00164205-01, LS-147924

Molecular Formula: C7H7ClSMolecular Weight: 158.648480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: KIQQUVJOLVCZKG-UHFFFAOYSA-N

• 2,3-Dihydroxybenzaldehyde
IUPAC Name: 2,3-dihydroxybenzaldehyde | CAS Registry Number: 24677-78-9
Synonyms: o-Pyrocatechualdehyde, Benzaldehyde, 2,3-dihydroxy-, 5,6-Dihydroxybenzaldehyde, 189839_ALDRICH, CHEBI:50197, EINECS 246-398-1, NSC146456, SBB004190, ZINC00332561, NSC 146456, D140, AE-641/30608014, InChI=1/C7H6O3/c8-4-5-2-1-3-6(9)7(5)10/h1-4,9-10, 23A

Molecular Formula: C7H6O3Molecular Weight: 138.120740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: IXWOUPGDGMCKGT-UHFFFAOYSA-N

• 4-Methoxy Thioanisole
IUPAC Name: 1-methoxy-4-methylsulfanylbenzene | CAS Registry Number: 1879-16-9
Synonyms: p-(Methylthio)anisole, 4-(Methylthio)anisole, 4-Methoxythioanisole, MMTB, p-Anisyl methyl sulfide, Anisole, p-(methylthio)-, P-METHOXYTHIOANISOLE, Methyl p-methoxyphenyl sulfide, p-Methoxyphenyl methyl sulfide, 1-Methoxy-4-methylthiobenzene, Methyl 4-methoxyphenyl sulfide, 1-Methoxy-4-(methylthio)benzene, 258709_ALDRICH, Benzene, 1-methoxy-4-(methylthio)-, 1-methoxy-4-methylsulfanylbenzene, Anisole, p-(methylthio)- (8CI), NSC124839, ZINC00409171, NSC 124839, Benzene, 1-methoxy-4-(methylthio)- (9CI)

Molecular Formula: C8H10OSMolecular Weight: 154.229400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: DQNSKXYRRRCKGH-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

• 2,4-Dichloro Thiophenol
IUPAC Name: 2,4-dichlorobenzenethiol | CAS Registry Number: 1122-41-4
Synonyms: 2,4-Dichlorobenzenethiol, 2,4-Dichlorothiophenol, Benzenethiol, 2,4-dichloro-, 540862_ALDRICH, EINECS 214-346-7, CID70730, TL 00291, TL8006736

Molecular Formula: C6H4Cl2SMolecular Weight: 179.066960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: FGBVJFREPSJSNG-UHFFFAOYSA-N

• 3,4-Xylidine
IUPAC Name: 3,4-dimethylaniline | CAS Registry Number: 95-64-7
Synonyms: 3,4-Dimethylaniline, 3,4-XYLIDINE, 4-Amino-o-xylene, 3,4-Xylylamine, Benzenamine, 3,4-dimethyl-, 3,4-Dimethylaminobenzene, 3,4-Dimethylbenzenamine, 3,4-Dimethylphenylamine, Aniline, 3,4-dimethyl, 4-Amino-1,2-dimethylbenzene, 1-Amino-3,4-dimethylbenzene, CCRIS 4741, HSDB 2095, WLN: ZR C1 D1, 126373_ALDRICH, Benzene, 4-amino-1,2-dimethyl-, EINECS 202-437-4, NSC7099, NSC 41800, AIDS018977

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

InChIKey: DOLQYFPDPKPQSS-UHFFFAOYSA-N

• 4-HeptylPhenol
IUPAC Name: 4-heptylphenol | CAS Registry Number: 1987-50-4
Synonyms: p-Heptylphenol, 4-n-Heptylphenol, Phenol, 4-heptyl-, 4-HEPTYLPHENOL, p-Hydroxyheptylbenzene, HEPTANYL-P-PHENOL, Ambap2057, Phenol, heptyl derivs., SGCUT00006, CID16143, to_000013, EINECS 217-862-0, DB03941, TL8001633, C14698, EPT, 72624-02-3

Molecular Formula: C13H20OMolecular Weight: 192.297300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: KNDDEFBFJLKPFE-UHFFFAOYSA-N

• 2-Bromo Aniline
IUPAC Name: 2-bromoaniline | CAS Registry Number: 615-36-1
Synonyms: o-Bromoaniline, Benzenamine, 2-bromo-, Aniline, o-bromo-, o-Aminobromobenzene, 2-BROMOANILINE, Aniline, o-bromo- (8CI), B56420_ALDRICH, 16195_FLUKA, NSC7086, NSC 7086, EINECS 210-421-3, ZINC00404305, ST5213805, InChI=1/C6H6BrN/c7-5-3-1-2-4-6(5)8/h1-4H,8H

Molecular Formula: C6H6BrNMolecular Weight: 172.022540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: AOPBDRUWRLBSDB-UHFFFAOYSA-N

• 3-Methylbenzo[b]thiophene
IUPAC Name: 3-methyl-1-benzothiophene | CAS Registry Number: 1455-18-1
Synonyms: 3-Methylbenzothiophene, 3-Methylthioindene, 3-Methylthianaphthene, 3-Methylbenzylthiophene, 3-Methyl-1-thiaindene, Benzothiophene, 3-methyl-, 3-Methylbenzo(b)thiophene, 3-Methyl-1-benzothiophene, Benzo[b]thiophene, 3-methyl-, 638587_ALDRICH, EINECS 215-934-6, NSC267241, ZINC01081482, NSC 267241, ST5307782, Benzo(b)thiophene, 3-methyl- (8CI)(9CI)

Molecular Formula: C9H8SMolecular Weight: 148.224820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: SEBRPHZZSLCDRQ-UHFFFAOYSA-N

• 2-Fluoro-4-nitroanisole
IUPAC Name: 2-fluoro-1-methoxy-4-nitrobenzene | CAS Registry Number: 455-93-6
Synonyms: 334863_ALDRICH, 2-Fluoro-1-methoxy-4-nitrobenzene, Nitrobenzene, 3-fluoro-4-methoxy-, NSC10335, ZINC01706176, TL8003170

Molecular Formula: C7H6FNO3Molecular Weight: 171.125843 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: XGMVTXUXZUPGGY-UHFFFAOYSA-N

• 3-Trifluoromethyl thiophenol
IUPAC Name: 3-(trifluoromethyl)benzenethiol | CAS Registry Number: 937-00-8
Synonyms: m-Trifluoromethylthiophenol, 3-Trifluoromethylthiophenol, NCIOpen2_001443, 3-(Trifluoromethyl)thiophenol, NSC88281, ST5411464, TL8006777

Molecular Formula: C7H5F3SMolecular Weight: 178.174810 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: SCURCOWZQJIUGR-UHFFFAOYSA-N

• 2-Ethyl Hexanol
IUPAC Name: 2-ethylhexan-1-ol | CAS Registry Number: 104-76-7
Synonyms: Ethylhexanol, 2-Ethylhexanol, Octyl alcohol, 2-Ethylhexan-1-ol, 1-Hexanol, 2-ethyl-, 2-Ethylhexyl alcohol, 2-ETHYL-1-HEXANOL, Ethylhexanol, 2-, Alcohol, 2-ethylhexyl, ISOOCTYL ALCOHOL, 2-Aethylhexanol [German], Name not found in CASLST, FEMA No. 3151, CCRIS 2292, HSDB 1118, W315109_ALDRICH, 538051_ALDRICH, NSC 9300, 08607_FLUKA, CHEBI:16011

Molecular Formula: C8H18OMolecular Weight: 130.227920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: YIWUKEYIRIRTPP-UHFFFAOYSA-N

• 2-Chloro-5-Nitrobenzoic Acid
IUPAC Name: 2-chloro-5-nitrobenzoic acid | CAS Registry Number: 2516-96-3
Synonyms: 2-CHLORO-5-NITROBENZOIC ACID, Benzoic acid, 2-chloro-5-nitro-, 6-Chloro-3-nitrobenzoic acid, 125113_ALDRICH, NSC8441, AIDS019398, BB_SC-2802, AIDS-019398, NSC 8441, EINECS 219-739-7, 2-CHLORO,5-NITRO-BENZOIC ACID, AI3-16578, TL8002047, InChI=1/C7H4ClNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11

Molecular Formula: C7H4ClNO4Molecular Weight: 201.563960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: QUEKGYQTRJVEQC-UHFFFAOYSA-N

• 4-Tertiary Butyl Toluene
IUPAC Name: 1-tert-butyl-4-methylbenzene | CAS Registry Number: 98-51-1
Synonyms: p-tert-Butyltoluene, 4-tert-Butyltoluene, p-t-Butyltoluene, 8-Methylparacymene, PTBT, 1-tert-Butyl-4-methylbenzene, p-TBT, Toluene, p-tert-butyl-, p-Methyl-tert-butylbenzene, 4-Methyl-tert-butylbenzene, 4-T-BUTYLTOLUENE, 1-Methyl-4-tert-butylbenzene, 4-tert-Butyl-1-methylbenzene, CCRIS 4762, Benzene, 1-(1,1-dimethylethyl)-4-methyl-, HSDB 5008, B102628_ALDRICH, NSC 6589, EINECS 202-675-9, NSC6589

Molecular Formula: C11H16Molecular Weight: 148.244740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: QCWXDVFBZVHKLV-UHFFFAOYSA-N

• 4-NitroBenzonitrile
IUPAC Name: 4-nitrobenzonitrile | CAS Registry Number: 619-72-7
Synonyms: 4-Nitrobenzonitrile, p-Cyanonitrobenzene, Benzonitrile, 4-nitro-, 4-Cyanonitrobenzene, Benzonitrile, p-nitro-, P-NITROBENZONITRILE, CCRIS 2328, N12007_ALDRICH, NSC 5383, EINECS 210-610-0, NSC5383, STK051059, ZINC01680884, AI3-00478, LS-38764, TL8004002, InChI=1/C7H4N2O2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4

Molecular Formula: C7H4N2O2Molecular Weight: 148.118860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: NKJIFDNZPGLLSH-UHFFFAOYSA-N

• 4-Bromo Thioanisole
IUPAC Name: 1-bromo-4-methylsulfanylbenzene | CAS Registry Number: 104-95-0
Synonyms: 4-Bromothioanisole, p-Bromo(methylthio)benzene, Methyl 4-bromophenylsulfide, p-Bromophenyl methyl sulfide, Maybridge1_001085, p-BROMO THIOANISOLE, Benzene, 1-bromo-4-(methylthio)-, 1-Bromo-4-(methylthio)benzene, 4-Bromophenyl methyl sulfide, 4-Bromophenyl methyl sulphide, Sulfide, p-bromophenyl methyl, 196525_ALDRICH, 1-bromo-4-methylsulfanylbenzene, NSC73383, EINECS 203-255-8, NSC 73383, ZINC00167168, Sulfide, p-bromophenyl methyl (8CI), TL806410, ST5308312

Molecular Formula: C7H7BrSMolecular Weight: 203.099480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: YEUYZNNBXLMFCW-UHFFFAOYSA-N

• 4,4'-Dichloro Diphenyl Sulfoxide
IUPAC Name: 1-chloro-4-(4-chlorophenyl)sulfinylbenzene | CAS Registry Number: 3085-42-5
Synonyms: p-Chlorophenyl sulfoxide, 4-Chlorophenyl sulfoxide, Di-p-chlorophenyl sulfoxide, Bis(p-chlorophenyl) sulfoxide, Bis(p-chlorophenyl)sulfoxide, Bis(4-chlorophenyl) sulfoxide, 4,4'-Dichlorodiphenylsulfoxide, 4,4-Dichlorodiphenyl sulfoxide, p,p'-Dichlorodiphenyl sulfoxide, Bis(p-chlorophenyl)sulphoxide, SULFOXIDE, BIS(p-CHLOROPHENYL), WLN: GR DSO&R DG, 1,1'-sulfinylbis(4-chlorobenzene), Benzene, 1,1'-sulfinylbis[4-chloro-, EINECS 221-397-9, AIDS018285, NSC 406205, AIDS-018285, Benzene, 1,1'-sulfinylbis(4-chloro-, BRN 2051256

Molecular Formula: C12H8Cl2OSMolecular Weight: 271.162320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: KJGYFISADIZFEL-UHFFFAOYSA-N

• 2,3-Dibromothiophene
IUPAC Name: 2,3-dibromothiophene | CAS Registry Number: 3140-93-0
Synonyms: Thiophene, 2,3-dibromo-, D43905_ALDRICH, 2,3-DIBROMOTHIOPHENE, TECH, NSC99003, EINECS 221-542-6, NSC 99003, ZINC04262021, Thiophene, 2,3-dibromo- (8CI)(9CI), ST5319390, TL8002399

Molecular Formula: C4H2Br2SMolecular Weight: 241.931680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ATRJNSFQBYKFSM-UHFFFAOYSA-N


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