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Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.
Aminobenzoic acids and derivatives (47)
Phenylpropenes (22)
Hydroxybenzoic Acid Derivatives (20)
Fluorobenzenes (17)
Bromobenzenes (11)
Trifluoromethylbenzenes (8)
Methoxybenzenes (6)
Phenylacetaldehydes (6)
Phenoxy compounds (5)
Benzenesulfonamides (4)
Benzoyl derivatives (4)
Benzyl Derivatives (4)
Benzenesulfonic acids and derivatives (2)
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Nitrobenzenes (2)
Nitrotoluenes (2)
Phenylcarbamic acid esters (2)
Phenylpropanes (2)
1 2-Dihalobenzenes (1)
Acylaminobenzoic acid and derivatives (1)
Benzamides (1)
Benzophenones (1)
Biphenyls and derivatives (1)
Diphenylmethanes (1)
Iodobenzenes (1)
Phenylmethylamines (1)

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1

2-Phenylpropionaldehyde 95.0+%, TCI America™

CAS: 93-53-8 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00006973 InChI Key: IQVAERDLDAZARL-UHFFFAOYSA-N Synonym: 2-phenylpropionaldehyde,hydratropaldehyde,hydratropic aldehyde,hyacinthal,cumene aldehyde,hydratropa aldehyde,hydrotropic aldehyde,2-phenyl-1-propanal,2-phenyl propionaldehyde,aldehyd hydratropovy PubChem CID: 7146 IUPAC Name: 2-phenylpropanal SMILES: CC(C=O)C1=CC=CC=C1

PubChem CID 7146
CAS 93-53-8
Molecular Weight (g/mol) 134.178
MDL Number MFCD00006973
SMILES CC(C=O)C1=CC=CC=C1
Synonym 2-phenylpropionaldehyde,hydratropaldehyde,hydratropic aldehyde,hyacinthal,cumene aldehyde,hydratropa aldehyde,hydrotropic aldehyde,2-phenyl-1-propanal,2-phenyl propionaldehyde,aldehyd hydratropovy
IUPAC Name 2-phenylpropanal
InChI Key IQVAERDLDAZARL-UHFFFAOYSA-N
Molecular Formula C9H10O
2

1,2-Dibromobenzene 97.0+%, TCI America™

CAS: 583-53-9 Molecular Formula: C6H4Br2 Molecular Weight (g/mol): 235.906 MDL Number: MFCD00000057 InChI Key: WQONPSCCEXUXTQ-UHFFFAOYSA-N Synonym: o-dibromobenzene,dibromobenzene,benzene, 1,2-dibromo,ortho-dibromobenzene,benzene, o-dibromo,benzene, dibromo,unii-52k9w7u6eh,dibromobenzene mixed isomers,1,2 dibromobenzene,1,6-dibromobenzene PubChem CID: 11414 ChEBI: CHEBI:37152 IUPAC Name: 1,2-dibromobenzene SMILES: C1=CC=C(C(=C1)Br)Br

PubChem CID 11414
CAS 583-53-9
Molecular Weight (g/mol) 235.906
ChEBI CHEBI:37152
MDL Number MFCD00000057
SMILES C1=CC=C(C(=C1)Br)Br
Synonym o-dibromobenzene,dibromobenzene,benzene, 1,2-dibromo,ortho-dibromobenzene,benzene, o-dibromo,benzene, dibromo,unii-52k9w7u6eh,dibromobenzene mixed isomers,1,2 dibromobenzene,1,6-dibromobenzene
IUPAC Name 1,2-dibromobenzene
InChI Key WQONPSCCEXUXTQ-UHFFFAOYSA-N
Molecular Formula C6H4Br2
3

1,2,3-Trifluorobenzene 98.0+%, TCI America™

CAS: 1489-53-8 Molecular Formula: C6H3F3 Molecular Weight (g/mol): 132.085 MDL Number: MFCD00012013 InChI Key: AJKNNUJQFALRIK-UHFFFAOYSA-N Synonym: trifluorobenzene,benzene, trifluoro,benzene, 1,2,3-trifluoro,3,4,5-trifluoro-benzene,pubchem1067,1,2,3-fluorobenzene,1,2,3-trifluorobenze,1,2,3-trifluorbenzen,1,2,6-trifluorobenzene,2,3,4-trifluorobenzene PubChem CID: 15147 IUPAC Name: 1,2,3-trifluorobenzene SMILES: C1=CC(=C(C(=C1)F)F)F

PubChem CID 15147
CAS 1489-53-8
Molecular Weight (g/mol) 132.085
MDL Number MFCD00012013
SMILES C1=CC(=C(C(=C1)F)F)F
Synonym trifluorobenzene,benzene, trifluoro,benzene, 1,2,3-trifluoro,3,4,5-trifluoro-benzene,pubchem1067,1,2,3-fluorobenzene,1,2,3-trifluorobenze,1,2,3-trifluorbenzen,1,2,6-trifluorobenzene,2,3,4-trifluorobenzene
IUPAC Name 1,2,3-trifluorobenzene
InChI Key AJKNNUJQFALRIK-UHFFFAOYSA-N
Molecular Formula C6H3F3
4

5-Fluoro-2-methylbenzaldehyde 95.0+%, TCI America™

CAS: 22062-53-9 Molecular Formula: C8H7FO Molecular Weight (g/mol): 138.141 MDL Number: MFCD02261763 InChI Key: MBOXPKNOGZJXPK-UHFFFAOYSA-N Synonym: 5-fluoro-2-methyl-benzaldehyde,benzaldehyde, 5-fluoro-2-methyl,zlchem 996,pubchem1458,acmc-209fri,ksc494k1f,2-methyl-5-fluorobenzaldehyde,5-fluoro-2-methylbenzaldehyde PubChem CID: 2759012 IUPAC Name: 5-fluoro-2-methylbenzaldehyde SMILES: CC1=C(C=C(C=C1)F)C=O

PubChem CID 2759012
CAS 22062-53-9
Molecular Weight (g/mol) 138.141
MDL Number MFCD02261763
SMILES CC1=C(C=C(C=C1)F)C=O
Synonym 5-fluoro-2-methyl-benzaldehyde,benzaldehyde, 5-fluoro-2-methyl,zlchem 996,pubchem1458,acmc-209fri,ksc494k1f,2-methyl-5-fluorobenzaldehyde,5-fluoro-2-methylbenzaldehyde
IUPAC Name 5-fluoro-2-methylbenzaldehyde
InChI Key MBOXPKNOGZJXPK-UHFFFAOYSA-N
Molecular Formula C8H7FO
5

2,2'-Dihydroxy-4-methoxybenzophenone 98.0+%, TCI America™

CAS: 131-53-3 Molecular Formula: C14H12O4 Molecular Weight (g/mol): 244.246 MDL Number: MFCD00002218 InChI Key: MEZZCSHVIGVWFI-UHFFFAOYSA-N Synonym: dioxybenzone,2,2'-dihydroxy-4-methoxybenzophenone,dioxybenzon,benzophenone-8,advastab 47,cyasorb uv 24,spectra-sorb uv 24,2-hydroxy-4-methoxyphenyl 2-hydroxyphenyl methanone,methanone, 2-hydroxy-4-methoxyphenyl 2-hydroxyphenyl,cyasorb uv 24 light absorber PubChem CID: 8569 ChEBI: CHEBI:34208 IUPAC Name: (2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone SMILES: COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2O)O

PubChem CID 8569
CAS 131-53-3
Molecular Weight (g/mol) 244.246
ChEBI CHEBI:34208
MDL Number MFCD00002218
SMILES COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2O)O
Synonym dioxybenzone,2,2'-dihydroxy-4-methoxybenzophenone,dioxybenzon,benzophenone-8,advastab 47,cyasorb uv 24,spectra-sorb uv 24,2-hydroxy-4-methoxyphenyl 2-hydroxyphenyl methanone,methanone, 2-hydroxy-4-methoxyphenyl 2-hydroxyphenyl,cyasorb uv 24 light absorber
IUPAC Name (2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
InChI Key MEZZCSHVIGVWFI-UHFFFAOYSA-N
Molecular Formula C14H12O4
6

4-Chloro-2,5-dimethoxynitrobenzene 98.0+%, TCI America™

CAS: 6940-53-0 Molecular Formula: C8H8ClNO4 Molecular Weight (g/mol): 217.605 MDL Number: MFCD00024577 InChI Key: ORLPGMKKCAEWOW-UHFFFAOYSA-N PubChem CID: 81362 IUPAC Name: 1-chloro-2,5-dimethoxy-4-nitrobenzene SMILES: COC1=CC(=C(C=C1[N+](=O)[O-])OC)Cl

PubChem CID 81362
CAS 6940-53-0
Molecular Weight (g/mol) 217.605
MDL Number MFCD00024577
SMILES COC1=CC(=C(C=C1[N+](=O)[O-])OC)Cl
IUPAC Name 1-chloro-2,5-dimethoxy-4-nitrobenzene
InChI Key ORLPGMKKCAEWOW-UHFFFAOYSA-N
Molecular Formula C8H8ClNO4
7

Eugenol 99.0+%, TCI America™

CAS: 97-53-0 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00008654 InChI Key: RRAFCDWBNXTKKO-UHFFFAOYSA-N Synonym: eugenol,4-allylguaiacol,4-allyl-2-methoxyphenol,eugenic acid,allylguaiacol,caryophyllic acid,p-allylguaiacol,p-eugenol,2-methoxy-4-allylphenol,engenol PubChem CID: 3314 ChEBI: CHEBI:4917 IUPAC Name: 2-methoxy-4-(prop-2-en-1-yl)phenol SMILES: COC1=CC(CC=C)=CC=C1O

PubChem CID 3314
CAS 97-53-0
Molecular Weight (g/mol) 164.20
ChEBI CHEBI:4917
MDL Number MFCD00008654
SMILES COC1=CC(CC=C)=CC=C1O
Synonym eugenol,4-allylguaiacol,4-allyl-2-methoxyphenol,eugenic acid,allylguaiacol,caryophyllic acid,p-allylguaiacol,p-eugenol,2-methoxy-4-allylphenol,engenol
IUPAC Name 2-methoxy-4-(prop-2-en-1-yl)phenol
InChI Key RRAFCDWBNXTKKO-UHFFFAOYSA-N
Molecular Formula C10H12O2
8

2,4-Dibromo-1-fluorobenzene 97.0+%, TCI America™

CAS: 1435-53-6 Molecular Formula: C6H3Br2F Molecular Weight (g/mol): 253.90 MDL Number: MFCD00000283 InChI Key: MKHDDTWHDFVYDQ-UHFFFAOYSA-N Synonym: 2,4-dibromofluorobenzene,1,3-dibromo-4-fluorobenzene,1-fluoro-2,4-dibromobenzene,benzene, 2,4-dibromo-1-fluoro,pubchem3446,acmc-209cqz,1,3-dibromo-5-fluoro,intermediates-zcf02097,ksc494g9j PubChem CID: 15034 IUPAC Name: 2,4-dibromo-1-fluorobenzene SMILES: FC1=CC=C(Br)C=C1Br

PubChem CID 15034
CAS 1435-53-6
Molecular Weight (g/mol) 253.90
MDL Number MFCD00000283
SMILES FC1=CC=C(Br)C=C1Br
Synonym 2,4-dibromofluorobenzene,1,3-dibromo-4-fluorobenzene,1-fluoro-2,4-dibromobenzene,benzene, 2,4-dibromo-1-fluoro,pubchem3446,acmc-209cqz,1,3-dibromo-5-fluoro,intermediates-zcf02097,ksc494g9j
IUPAC Name 2,4-dibromo-1-fluorobenzene
InChI Key MKHDDTWHDFVYDQ-UHFFFAOYSA-N
Molecular Formula C6H3Br2F
9

4-Chloro-3-(trifluoromethyl)benzenesulfonyl Chloride 98.0+%, TCI America™

CAS: 32333-53-2 Molecular Formula: C7H3Cl2F3O2S Molecular Weight (g/mol): 279.054 MDL Number: MFCD00024882 InChI Key: SSULGNXFUGLULI-UHFFFAOYSA-N Synonym: 4-chloro-3-trifluoromethyl benzenesulfonyl chloride,4-chloro-3-trifluoromethyl benzene-1-sulfonyl chloride,4-chloro-3-trifluoromethyl-benzenesulfonyl chloride,4-chloro-3-trifluoromethyl benzenesulfonylchloride,4-chloro-3-trifluoromethyl benzenesulphonyl chloride,4-chloro-5-trifluoromethyl benzenesulfonyl chloride,benzenesulfonyl chloride, 4-chloro-3-trifluoromethyl,ksc222e0j,4-chloro-3-trifluoromethylbenzenesulfonylchloride,4-chloro-3-trifluoromethyl benzenesulfonyl chlori PubChem CID: 2780719 IUPAC Name: 4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride SMILES: C1=CC(=C(C=C1S(=O)(=O)Cl)C(F)(F)F)Cl

PubChem CID 2780719
CAS 32333-53-2
Molecular Weight (g/mol) 279.054
MDL Number MFCD00024882
SMILES C1=CC(=C(C=C1S(=O)(=O)Cl)C(F)(F)F)Cl
Synonym 4-chloro-3-trifluoromethyl benzenesulfonyl chloride,4-chloro-3-trifluoromethyl benzene-1-sulfonyl chloride,4-chloro-3-trifluoromethyl-benzenesulfonyl chloride,4-chloro-3-trifluoromethyl benzenesulfonylchloride,4-chloro-3-trifluoromethyl benzenesulphonyl chloride,4-chloro-5-trifluoromethyl benzenesulfonyl chloride,benzenesulfonyl chloride, 4-chloro-3-trifluoromethyl,ksc222e0j,4-chloro-3-trifluoromethylbenzenesulfonylchloride,4-chloro-3-trifluoromethyl benzenesulfonyl chlori
IUPAC Name 4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride
InChI Key SSULGNXFUGLULI-UHFFFAOYSA-N
Molecular Formula C7H3Cl2F3O2S
10

2-(3-Fluorophenyl)ethanol 98.0+%, TCI America™

CAS: 52059-53-7 Molecular Formula: C8H9FO Molecular Weight (g/mol): 140.16 MDL Number: MFCD00045998 InChI Key: MZNBGEKFZCWVES-UHFFFAOYSA-N Synonym: 2-3-fluorophenyl ethanol,3-fluorophenethyl alcohol,2-3-fluorophenyl ethan-1-ol,benzeneethanol, 3-fluoro,3-fluorophenethylalcohol,2-3-fluorophenyl ethylalcohol,3-fluorobenzenethanol,3-fluorophenylethanol,3-fluorobenzeneethanol,acmc-209kxl PubChem CID: 573132 IUPAC Name: 2-(3-fluorophenyl)ethan-1-ol SMILES: OCCC1=CC=CC(F)=C1

PubChem CID 573132
CAS 52059-53-7
Molecular Weight (g/mol) 140.16
MDL Number MFCD00045998
SMILES OCCC1=CC=CC(F)=C1
Synonym 2-3-fluorophenyl ethanol,3-fluorophenethyl alcohol,2-3-fluorophenyl ethan-1-ol,benzeneethanol, 3-fluoro,3-fluorophenethylalcohol,2-3-fluorophenyl ethylalcohol,3-fluorobenzenethanol,3-fluorophenylethanol,3-fluorobenzeneethanol,acmc-209kxl
IUPAC Name 2-(3-fluorophenyl)ethan-1-ol
InChI Key MZNBGEKFZCWVES-UHFFFAOYSA-N
Molecular Formula C8H9FO
11

2-Methyl-4-nitrobenzonitrile 98.0+%, TCI America™

CAS: 89001-53-6 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.148 MDL Number: MFCD03095378 InChI Key: RNTFKDBRMXYEPR-UHFFFAOYSA-N Synonym: 4-Nitro-o-tolunitrile PubChem CID: 4346367 IUPAC Name: 2-methyl-4-nitrobenzonitrile SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])C#N

PubChem CID 4346367
CAS 89001-53-6
Molecular Weight (g/mol) 162.148
MDL Number MFCD03095378
SMILES CC1=C(C=CC(=C1)[N+](=O)[O-])C#N
Synonym 4-Nitro-o-tolunitrile
IUPAC Name 2-methyl-4-nitrobenzonitrile
InChI Key RNTFKDBRMXYEPR-UHFFFAOYSA-N
Molecular Formula C8H6N2O2
12

1,3-Dichloro-2,4,6-trifluorobenzene 97.0+%, TCI America™

CAS: 2368-53-8 Molecular Formula: C6HCl2F3 Molecular Weight (g/mol): 200.97 MDL Number: MFCD00012242 InChI Key: UOGVNYNJSZHQCN-UHFFFAOYSA-N PubChem CID: 137563 IUPAC Name: 2,4-dichloro-1,3,5-trifluorobenzene SMILES: FC1=CC(F)=C(Cl)C(F)=C1Cl

PubChem CID 137563
CAS 2368-53-8
Molecular Weight (g/mol) 200.97
MDL Number MFCD00012242
SMILES FC1=CC(F)=C(Cl)C(F)=C1Cl
IUPAC Name 2,4-dichloro-1,3,5-trifluorobenzene
InChI Key UOGVNYNJSZHQCN-UHFFFAOYSA-N
Molecular Formula C6HCl2F3
13

N-[4-Cyano-3-(trifluoromethyl)phenyl]methacrylamide 98.0+%, TCI America™

CAS: 90357-53-2 Molecular Formula: C12H9F3N2O Molecular Weight (g/mol): 254.212 MDL Number: MFCD03411609 InChI Key: HHWDZLSGDDXUSM-UHFFFAOYSA-N PubChem CID: 11149469 IUPAC Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylprop-2-enamide SMILES: CC(=C)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F

PubChem CID 11149469
CAS 90357-53-2
Molecular Weight (g/mol) 254.212
MDL Number MFCD03411609
SMILES CC(=C)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F
IUPAC Name N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylprop-2-enamide
InChI Key HHWDZLSGDDXUSM-UHFFFAOYSA-N
Molecular Formula C12H9F3N2O
14

2-Cyano-4'-methylbiphenyl 99.0+%, TCI America™

CAS: 114772-53-1 Molecular Formula: C14H11N Molecular Weight (g/mol): 193.25 MDL Number: MFCD00151805 InChI Key: ZGQVZLSNEBEHFN-UHFFFAOYSA-N Synonym: 2-cyano-4'-methylbiphenyl,4'-methyl-2-cyanobiphenyl,4'-methylbiphenyl-2-carbonitrile,2'-cyano-4-methylbiphenyl,2-p-tolyl benzonitrile,2-4-methylphenyl benzonitrile,2-cyano-4'-methyl biphenyl,4'-methyl-1,1'-biphenyl-2-carbonitrile,unii-o417ti15ta,4'-methyl-2-cyano diphenyl PubChem CID: 145512 IUPAC Name: 4'-methyl-[1,1'-biphenyl]-2-carbonitrile SMILES: CC1=CC=C(C=C1)C1=CC=CC=C1C#N

PubChem CID 145512
CAS 114772-53-1
Molecular Weight (g/mol) 193.25
MDL Number MFCD00151805
SMILES CC1=CC=C(C=C1)C1=CC=CC=C1C#N
Synonym 2-cyano-4'-methylbiphenyl,4'-methyl-2-cyanobiphenyl,4'-methylbiphenyl-2-carbonitrile,2'-cyano-4-methylbiphenyl,2-p-tolyl benzonitrile,2-4-methylphenyl benzonitrile,2-cyano-4'-methyl biphenyl,4'-methyl-1,1'-biphenyl-2-carbonitrile,unii-o417ti15ta,4'-methyl-2-cyano diphenyl
IUPAC Name 4'-methyl-[1,1'-biphenyl]-2-carbonitrile
InChI Key ZGQVZLSNEBEHFN-UHFFFAOYSA-N
Molecular Formula C14H11N
15

Methyl 2-Bromo-5-chlorobenzoate 98.0+%, TCI America™

CAS: 27007-53-0 Molecular Formula: C8H6BrClO2 Molecular Weight (g/mol): 249.488 MDL Number: MFCD00144763 InChI Key: BIECSXCXIXHDBC-UHFFFAOYSA-N Synonym: 2-bromo-5-chlorobenzoic acid methyl ester,benzoic acid, 2-bromo-5-chloro-, methyl ester,pubchem11238,acmc-1cr8r,ksc494q3f,methyl-2-bromo-5-chlorobenzoate,methyl 2-bromo-5-chloro-benzoate,methyl 2-bromanyl-5-chloranyl-benzoate,2-bomo-5-chlorobenzoic acid methyl ester PubChem CID: 280500 IUPAC Name: methyl 2-bromo-5-chlorobenzoate SMILES: COC(=O)C1=C(C=CC(=C1)Cl)Br

PubChem CID 280500
CAS 27007-53-0
Molecular Weight (g/mol) 249.488
MDL Number MFCD00144763
SMILES COC(=O)C1=C(C=CC(=C1)Cl)Br
Synonym 2-bromo-5-chlorobenzoic acid methyl ester,benzoic acid, 2-bromo-5-chloro-, methyl ester,pubchem11238,acmc-1cr8r,ksc494q3f,methyl-2-bromo-5-chlorobenzoate,methyl 2-bromo-5-chloro-benzoate,methyl 2-bromanyl-5-chloranyl-benzoate,2-bomo-5-chlorobenzoic acid methyl ester
IUPAC Name methyl 2-bromo-5-chlorobenzoate
InChI Key BIECSXCXIXHDBC-UHFFFAOYSA-N
Molecular Formula C8H6BrClO2