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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.
Hydroxybenzoic Acid Derivatives (39)
Aminobenzoic acids and derivatives (36)
Phenylpropenes (24)
Benzyl Derivatives (16)
Aniline and substituted anilines (13)
Fluorobenzenes (10)
Aminotoluenes (7)
Nitrobenzenes (7)
Benzoyl derivatives (6)
Bromobenzenes (6)
Iodobenzenes (5)
Trifluoromethylbenzenes (5)
Phenylcarbamic acid esters (4)
Phenoxy compounds (3)
Toluene diisocyanates (3)
Benzenesulfonic acids and derivatives (2)
Methoxybenzoic acids and derivatives (2)
Phenoxyacetic acid derivatives (2)
Phenylpropanes (2)
Benzenesulfonamides (1)
Benzoic acids (1)
Cumenes (1)
Diphenylethers (1)
Methoxybenzenes (1)
Nitrotoluenes (1)
Phenylhydrazines (1)
Phenylphosphines and derivatives (1)
Styrenes (1)
Sulfanylbenzoic acids and derivatives (1)
Terphenyls (1)

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1 – 15 of 178 results
1

2-Chlorobenzoic Acid 98.0+%, TCI America™

CAS: 118-91-2 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.565 MDL Number: MFCD00002412 InChI Key: IKCLCGXPQILATA-UHFFFAOYSA-N Synonym: o-chlorobenzoic acid,benzoic acid, o-chloro,benzoic acid, 2-chloro,2-cba,kyselina o-chlorbenzoova,chlorobenzoic acid,ocba,benzoic acid, chloro,2-chloro-benzoic acid,chlorobenzoate PubChem CID: 8374 ChEBI: CHEBI:30793 IUPAC Name: 2-chlorobenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)Cl

PubChem CID 8374
CAS 118-91-2
Molecular Weight (g/mol) 156.565
ChEBI CHEBI:30793
MDL Number MFCD00002412
SMILES C1=CC=C(C(=C1)C(=O)O)Cl
Synonym o-chlorobenzoic acid,benzoic acid, o-chloro,benzoic acid, 2-chloro,2-cba,kyselina o-chlorbenzoova,chlorobenzoic acid,ocba,benzoic acid, chloro,2-chloro-benzoic acid,chlorobenzoate
IUPAC Name 2-chlorobenzoic acid
InChI Key IKCLCGXPQILATA-UHFFFAOYSA-N
Molecular Formula C7H5ClO2
2

2,3-Difluorobenzaldehyde 97.0+%, TCI America™

CAS: 2646-91-5 Molecular Formula: C7H4F2O Molecular Weight (g/mol): 142.105 MDL Number: MFCD00010292 InChI Key: WDBAXYQUOZDFOJ-UHFFFAOYSA-N Synonym: benzaldehyde, 2,3-difluoro,2,3-difluoro benzaldehyde,2,3-difluoro-benzaldehyde,difluoro-benzaldehyde,pubchem1436,2,3 difluorobenzaldehyde,acmc-1cr6r,2,3-difluorobenzaldehyde?,2,3-difluorobenzaldehyde,ksc493k8r PubChem CID: 137664 IUPAC Name: 2,3-difluorobenzaldehyde SMILES: C1=CC(=C(C(=C1)F)F)C=O

PubChem CID 137664
CAS 2646-91-5
Molecular Weight (g/mol) 142.105
MDL Number MFCD00010292
SMILES C1=CC(=C(C(=C1)F)F)C=O
Synonym benzaldehyde, 2,3-difluoro,2,3-difluoro benzaldehyde,2,3-difluoro-benzaldehyde,difluoro-benzaldehyde,pubchem1436,2,3 difluorobenzaldehyde,acmc-1cr6r,2,3-difluorobenzaldehyde?,2,3-difluorobenzaldehyde,ksc493k8r
IUPAC Name 2,3-difluorobenzaldehyde
InChI Key WDBAXYQUOZDFOJ-UHFFFAOYSA-N
Molecular Formula C7H4F2O
3

2-Methoxy-4-nitrobenzenesulfonyl Chloride 98.0+%, TCI America™

CAS: 21320-91-2 Molecular Formula: C7H6ClNO5S Molecular Weight (g/mol): 251.64 MDL Number: MFCD03094697 InChI Key: QECYXMKYZQXEHM-UHFFFAOYSA-N Synonym: 2-methoxy-4-nitrobenzene-1-sulfonyl chloride,2-methoxy-4-nitrobenzenesulfonylchloride,benzenesulfonyl chloride, 2-methoxy-4-nitro,pubchem11714,acmc-1ck5c,ksc207c7t,2-chlorosulphonyl-5-nitroanisole,chloro 2-methoxy-4-nitrophenyl sulfone,2-methoxy-4-nitrobenzensulfonyl chloride,2-methoxy-4-nitrophenylsulfonyl chloride PubChem CID: 309458 IUPAC Name: 2-methoxy-4-nitrobenzene-1-sulfonyl chloride SMILES: COC1=CC(=CC=C1S(Cl)(=O)=O)[N+]([O-])=O

PubChem CID 309458
CAS 21320-91-2
Molecular Weight (g/mol) 251.64
MDL Number MFCD03094697
SMILES COC1=CC(=CC=C1S(Cl)(=O)=O)[N+]([O-])=O
Synonym 2-methoxy-4-nitrobenzene-1-sulfonyl chloride,2-methoxy-4-nitrobenzenesulfonylchloride,benzenesulfonyl chloride, 2-methoxy-4-nitro,pubchem11714,acmc-1ck5c,ksc207c7t,2-chlorosulphonyl-5-nitroanisole,chloro 2-methoxy-4-nitrophenyl sulfone,2-methoxy-4-nitrobenzensulfonyl chloride,2-methoxy-4-nitrophenylsulfonyl chloride
IUPAC Name 2-methoxy-4-nitrobenzene-1-sulfonyl chloride
InChI Key QECYXMKYZQXEHM-UHFFFAOYSA-N
Molecular Formula C7H6ClNO5S
4

2,4-Dimethoxybenzoic Acid 99.0+%, TCI America™

CAS: 91-52-1 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.175 MDL Number: MFCD00002434 InChI Key: GPVDHNVGGIAOQT-UHFFFAOYSA-N Synonym: benzoic acid, 2,4-dimethoxy,2,4-dimethoxybenzoicacid,2,4-dimethoxy benzoic acid,2,4-dimethoxybenzoic,pubchem4949,rarechem al bo 0028,2,4-dimethoxy-benzoicaci,2,4 dimethoxybenzoic acid,2.4-dimethoxybenzoic acid,dimethoxybenzoic-2,4 acid PubChem CID: 7052 IUPAC Name: 2,4-dimethoxybenzoic acid SMILES: COC1=CC(=C(C=C1)C(=O)O)OC

PubChem CID 7052
CAS 91-52-1
Molecular Weight (g/mol) 182.175
MDL Number MFCD00002434
SMILES COC1=CC(=C(C=C1)C(=O)O)OC
Synonym benzoic acid, 2,4-dimethoxy,2,4-dimethoxybenzoicacid,2,4-dimethoxy benzoic acid,2,4-dimethoxybenzoic,pubchem4949,rarechem al bo 0028,2,4-dimethoxy-benzoicaci,2,4 dimethoxybenzoic acid,2.4-dimethoxybenzoic acid,dimethoxybenzoic-2,4 acid
IUPAC Name 2,4-dimethoxybenzoic acid
InChI Key GPVDHNVGGIAOQT-UHFFFAOYSA-N
Molecular Formula C9H10O4
5

2-Methyl-5-nitrobenzaldehyde 98.0+%, TCI America™

CAS: 16634-91-6 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.148 MDL Number: MFCD03840506 InChI Key: JLFWTLNLOSUFMU-UHFFFAOYSA-N PubChem CID: 12654145 IUPAC Name: 2-methyl-5-nitrobenzaldehyde SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])C=O

PubChem CID 12654145
CAS 16634-91-6
Molecular Weight (g/mol) 165.148
MDL Number MFCD03840506
SMILES CC1=C(C=C(C=C1)[N+](=O)[O-])C=O
IUPAC Name 2-methyl-5-nitrobenzaldehyde
InChI Key JLFWTLNLOSUFMU-UHFFFAOYSA-N
Molecular Formula C8H7NO3
6

(R)-4-Benzyloxy-1,2-butanediol 97.0+%, TCI America™

CAS: 86990-91-2 Molecular Formula: C11H16O3 Molecular Weight (g/mol): 196.246 InChI Key: TVRPDIKPMQUOSL-LLVKDONJSA-N PubChem CID: 10910454 IUPAC Name: (2R)-4-phenylmethoxybutane-1,2-diol SMILES: C1=CC=C(C=C1)COCCC(CO)O

PubChem CID 10910454
CAS 86990-91-2
Molecular Weight (g/mol) 196.246
SMILES C1=CC=C(C=C1)COCCC(CO)O
IUPAC Name (2R)-4-phenylmethoxybutane-1,2-diol
InChI Key TVRPDIKPMQUOSL-LLVKDONJSA-N
Molecular Formula C11H16O3
7

2-Chloro-5-nitrobenzoyl Chloride 98.0+%, TCI America™

CAS: 25784-91-2 Molecular Formula: C7H3Cl2NO3 Molecular Weight (g/mol): 220.005 MDL Number: MFCD00059180 InChI Key: OGLKKYALUKXVPQ-UHFFFAOYSA-N Synonym: 2-chloro-5-nitrobenzoylchloride,benzoyl chloride, 2-chloro-5-nitro,acmc-1cq6z,2-chloro-5nitrobenzoyl chloride,2-chloro-5-nitro-benzoylchlorid,2-chloro-5-nitro-benzoic chloride,2-chloro-5-nitro-benzoyl chloride,benzoyl chloride,2-chloro-5-nitro,2-chloranyl-5-nitro-benzoyl chloride,2-chloro-5-nitrobenzoic acid chloride PubChem CID: 117637 IUPAC Name: 2-chloro-5-nitrobenzoyl chloride SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)Cl)Cl

PubChem CID 117637
CAS 25784-91-2
Molecular Weight (g/mol) 220.005
MDL Number MFCD00059180
SMILES C1=CC(=C(C=C1[N+](=O)[O-])C(=O)Cl)Cl
Synonym 2-chloro-5-nitrobenzoylchloride,benzoyl chloride, 2-chloro-5-nitro,acmc-1cq6z,2-chloro-5nitrobenzoyl chloride,2-chloro-5-nitro-benzoylchlorid,2-chloro-5-nitro-benzoic chloride,2-chloro-5-nitro-benzoyl chloride,benzoyl chloride,2-chloro-5-nitro,2-chloranyl-5-nitro-benzoyl chloride,2-chloro-5-nitrobenzoic acid chloride
IUPAC Name 2-chloro-5-nitrobenzoyl chloride
InChI Key OGLKKYALUKXVPQ-UHFFFAOYSA-N
Molecular Formula C7H3Cl2NO3
8

2-Nitroanisole 98.0+%, TCI America™

CAS: 91-23-6 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007096 InChI Key: CFBYEGUGFPZCNF-UHFFFAOYSA-N Synonym: 2-nitroanisole,o-nitroanisole,anisole, o-nitro,1-nitro-2-methoxybenzene,2-methoxynitrobenzene,o-nitrophenyl methyl ether,benzene, 1-methoxy-2-nitro,2-methoxy-1-nitrobenzene,benzene, methoxynitro,o-nitro methoxy benzene PubChem CID: 7048 ChEBI: CHEBI:48722 IUPAC Name: 1-methoxy-2-nitrobenzene SMILES: COC1=CC=CC=C1[N+]([O-])=O

PubChem CID 7048
CAS 91-23-6
Molecular Weight (g/mol) 153.14
ChEBI CHEBI:48722
MDL Number MFCD00007096
SMILES COC1=CC=CC=C1[N+]([O-])=O
Synonym 2-nitroanisole,o-nitroanisole,anisole, o-nitro,1-nitro-2-methoxybenzene,2-methoxynitrobenzene,o-nitrophenyl methyl ether,benzene, 1-methoxy-2-nitro,2-methoxy-1-nitrobenzene,benzene, methoxynitro,o-nitro methoxy benzene
IUPAC Name 1-methoxy-2-nitrobenzene
InChI Key CFBYEGUGFPZCNF-UHFFFAOYSA-N
Molecular Formula C7H7NO3
9

2-Bromo-5-(trifluoromethyl)benzaldehyde 97.0+%, TCI America™

CAS: 102684-91-3 Molecular Formula: C8H4BrF3O Molecular Weight (g/mol): 253.02 MDL Number: MFCD04973760 InChI Key: CSOBJYGHQOLWOD-UHFFFAOYSA-N Synonym: 2-bromo-5-trifluoromethyl benzaldehyde,4-bromo-3-formylbenzotrifluoride,2-bromo-5-1,1-dimethylethyl-benzaldehyde,benzaldehyde, 2-bromo-5-1,1-dimethylethyl,benzaldehyde, 2-bromo-5-trifluoromethyl,paragos 530289,pubchem1428,pubchem4179,ksc498c1d,bromo 5-trifluoromethyl benzaldehyde PubChem CID: 7018047 IUPAC Name: 2-bromo-5-(trifluoromethyl)benzaldehyde SMILES: FC(F)(F)C1=CC(C=O)=C(Br)C=C1

PubChem CID 7018047
CAS 102684-91-3
Molecular Weight (g/mol) 253.02
MDL Number MFCD04973760
SMILES FC(F)(F)C1=CC(C=O)=C(Br)C=C1
Synonym 2-bromo-5-trifluoromethyl benzaldehyde,4-bromo-3-formylbenzotrifluoride,2-bromo-5-1,1-dimethylethyl-benzaldehyde,benzaldehyde, 2-bromo-5-1,1-dimethylethyl,benzaldehyde, 2-bromo-5-trifluoromethyl,paragos 530289,pubchem1428,pubchem4179,ksc498c1d,bromo 5-trifluoromethyl benzaldehyde
IUPAC Name 2-bromo-5-(trifluoromethyl)benzaldehyde
InChI Key CSOBJYGHQOLWOD-UHFFFAOYSA-N
Molecular Formula C8H4BrF3O
10

4-Fluoro-2-methoxyaniline 98.0+%, TCI America™

CAS: 450-91-9 Molecular Formula: C7H8FNO Molecular Weight (g/mol): 141.15 MDL Number: MFCD00077536 InChI Key: BNRRMRUVYDETQC-UHFFFAOYSA-N Synonym: 2-methoxy-4-fluoroaniline,2-amino-5-fluoroanisole,4-fluoro-2-methoxybenzenamine,benzenamine, 4-fluoro-2-methoxy,2-amino-5-fluoroanisole 4-fluoro-2-methoxyaniline,4-fluoro-o-anisidine,acmc-1aegy,4-fluoro-2-methoxy-aniline,ksc798g5t,4-fluoro-2-methoxyphenylamine PubChem CID: 13532228 IUPAC Name: 4-fluoro-2-methoxyaniline SMILES: COC1=C(N)C=CC(F)=C1

PubChem CID 13532228
CAS 450-91-9
Molecular Weight (g/mol) 141.15
MDL Number MFCD00077536
SMILES COC1=C(N)C=CC(F)=C1
Synonym 2-methoxy-4-fluoroaniline,2-amino-5-fluoroanisole,4-fluoro-2-methoxybenzenamine,benzenamine, 4-fluoro-2-methoxy,2-amino-5-fluoroanisole 4-fluoro-2-methoxyaniline,4-fluoro-o-anisidine,acmc-1aegy,4-fluoro-2-methoxy-aniline,ksc798g5t,4-fluoro-2-methoxyphenylamine
IUPAC Name 4-fluoro-2-methoxyaniline
InChI Key BNRRMRUVYDETQC-UHFFFAOYSA-N
Molecular Formula C7H8FNO
11

1,2-Dichloro-4-iodobenzene 98.0+%, TCI America™

CAS: 20555-91-3 Molecular Formula: C6H3Cl2I Molecular Weight (g/mol): 272.894 MDL Number: MFCD00019014 InChI Key: NADPFZNWCQIJJW-UHFFFAOYSA-N Synonym: 3,4-dichloroiodobenzene,benzene, 1,2-dichloro-4-iodo,maybridge1_001437,pubchem3691,acmc-209fbv,3,4-dichloro-iodobenzene,1,2-dichloro-5-iodobenzene,1-iodo-3,4-dichlorobenzene,3,4-dichloro-1-iodobenzene,4-iodo-1,2-dichlorobenzene PubChem CID: 88591 IUPAC Name: 1,2-dichloro-4-iodobenzene SMILES: C1=CC(=C(C=C1I)Cl)Cl

PubChem CID 88591
CAS 20555-91-3
Molecular Weight (g/mol) 272.894
MDL Number MFCD00019014
SMILES C1=CC(=C(C=C1I)Cl)Cl
Synonym 3,4-dichloroiodobenzene,benzene, 1,2-dichloro-4-iodo,maybridge1_001437,pubchem3691,acmc-209fbv,3,4-dichloro-iodobenzene,1,2-dichloro-5-iodobenzene,1-iodo-3,4-dichlorobenzene,3,4-dichloro-1-iodobenzene,4-iodo-1,2-dichlorobenzene
IUPAC Name 1,2-dichloro-4-iodobenzene
InChI Key NADPFZNWCQIJJW-UHFFFAOYSA-N
Molecular Formula C6H3Cl2I
12

N-Ethyl-N-2-hydroxyethyl-m-toluidine 96.0+%, TCI America™

CAS: 91-88-3 Molecular Formula: C11H17NO Molecular Weight (g/mol): 179.263 MDL Number: MFCD00002849 InChI Key: KRNUKKZDGDAWBF-UHFFFAOYSA-N Synonym: 2-n-ethyl-m-toluidino ethanol,2-ethyl m-tolyl amino ethanol,emery 5714,n-ethyl-n-2-hydroxyethyl-m-toluidine,ethanol, 2-ethyl 3-methylphenyl amino,ethanol, 2-n-ethyl-m-toluidino,n-ethyl-n-hydroxyethyl-meta-toluidine,n-hydroxyethyl-n-ethyl-m-toluidine,unii-1alr5x8r8w PubChem CID: 7067 IUPAC Name: 2-(N-ethyl-3-methylanilino)ethanol SMILES: CCN(CCO)C1=CC=CC(=C1)C

PubChem CID 7067
CAS 91-88-3
Molecular Weight (g/mol) 179.263
MDL Number MFCD00002849
SMILES CCN(CCO)C1=CC=CC(=C1)C
Synonym 2-n-ethyl-m-toluidino ethanol,2-ethyl m-tolyl amino ethanol,emery 5714,n-ethyl-n-2-hydroxyethyl-m-toluidine,ethanol, 2-ethyl 3-methylphenyl amino,ethanol, 2-n-ethyl-m-toluidino,n-ethyl-n-hydroxyethyl-meta-toluidine,n-hydroxyethyl-n-ethyl-m-toluidine,unii-1alr5x8r8w
IUPAC Name 2-(N-ethyl-3-methylanilino)ethanol
InChI Key KRNUKKZDGDAWBF-UHFFFAOYSA-N
Molecular Formula C11H17NO
13

1,2-Dimethoxybenzene 99.0+%, TCI America™

CAS: 91-16-7 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00008357 InChI Key: ABDKAPXRBAPSQN-UHFFFAOYSA-N Synonym: veratrole,veratrol,pyrocatechol dimethyl ether,o-dimethoxybenzene,catechol dimethyl ether,benzene, 1,2-dimethoxy,2-methoxyanisole,o,o-dimethyl catechol,2-dimethoxybenzol,benzene, o-dimethoxy PubChem CID: 7043 ChEBI: CHEBI:59114 IUPAC Name: 1,2-dimethoxybenzene SMILES: COC1=CC=CC=C1OC

PubChem CID 7043
CAS 91-16-7
Molecular Weight (g/mol) 138.166
ChEBI CHEBI:59114
MDL Number MFCD00008357
SMILES COC1=CC=CC=C1OC
Synonym veratrole,veratrol,pyrocatechol dimethyl ether,o-dimethoxybenzene,catechol dimethyl ether,benzene, 1,2-dimethoxy,2-methoxyanisole,o,o-dimethyl catechol,2-dimethoxybenzol,benzene, o-dimethoxy
IUPAC Name 1,2-dimethoxybenzene
InChI Key ABDKAPXRBAPSQN-UHFFFAOYSA-N
Molecular Formula C8H10O2
14

5-Chloro-2-fluorobenzyl Bromide 97.0+%, TCI America™

CAS: 71916-91-1 Molecular Formula: C7H5BrClF Molecular Weight (g/mol): 223.469 MDL Number: MFCD01631437 InChI Key: DJXBUSVMEONVRS-UHFFFAOYSA-N Synonym: 5-chloro-2-fluorobenzyl bromide,2-bromomethyl-4-chloro-1-fluorobenzene,2-fluoro-5-chlorobenzyl bromide,1-bromomethyl-5-chloro-2-fluorobenzene,5-chloro-2-fluorobenzylbromide,alpha-bromo-3-chloro-6-fluorotoluene,benzene, 2-bromomethyl-4-chloro-1-fluoro,2-fluoro-5-chlorobenzylbromide,pubchem4899,acmc-209oko PubChem CID: 2773626 IUPAC Name: 2-(bromomethyl)-4-chloro-1-fluorobenzene SMILES: C1=CC(=C(C=C1Cl)CBr)F

PubChem CID 2773626
CAS 71916-91-1
Molecular Weight (g/mol) 223.469
MDL Number MFCD01631437
SMILES C1=CC(=C(C=C1Cl)CBr)F
Synonym 5-chloro-2-fluorobenzyl bromide,2-bromomethyl-4-chloro-1-fluorobenzene,2-fluoro-5-chlorobenzyl bromide,1-bromomethyl-5-chloro-2-fluorobenzene,5-chloro-2-fluorobenzylbromide,alpha-bromo-3-chloro-6-fluorotoluene,benzene, 2-bromomethyl-4-chloro-1-fluoro,2-fluoro-5-chlorobenzylbromide,pubchem4899,acmc-209oko
IUPAC Name 2-(bromomethyl)-4-chloro-1-fluorobenzene
InChI Key DJXBUSVMEONVRS-UHFFFAOYSA-N
Molecular Formula C7H5BrClF
15

3,5-Dichloro-2,6-dimethoxybenzoic Acid 98.0+%, TCI America™

CAS: 73219-91-7 Molecular Formula: C9H8Cl2O4 Molecular Weight (g/mol): 251.059 MDL Number: MFCD00173910 InChI Key: JPIAALCEQSLBKF-UHFFFAOYSA-N PubChem CID: 2774750 IUPAC Name: 3,5-dichloro-2,6-dimethoxybenzoic acid SMILES: COC1=C(C(=C(C=C1Cl)Cl)OC)C(=O)O

PubChem CID 2774750
CAS 73219-91-7
Molecular Weight (g/mol) 251.059
MDL Number MFCD00173910
SMILES COC1=C(C(=C(C=C1Cl)Cl)OC)C(=O)O
IUPAC Name 3,5-dichloro-2,6-dimethoxybenzoic acid
InChI Key JPIAALCEQSLBKF-UHFFFAOYSA-N
Molecular Formula C9H8Cl2O4