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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 (20,669)
Aminobenzoic acids and derivatives (10,473)
Benzyl Derivatives (5,733)
Phenylpropenes (4,932)
Fluorobenzenes (4,514)
Phenoxy compounds (2,872)
Trifluoromethylbenzenes (2,187)
Bromobenzenes (2,159)
Benzoyl derivatives (1,881)
Methoxybenzoic acids and derivatives (1,789)
Benzenesulfonamides (1,646)
Phenylmethylamines (1,393)
Phenylcarbamic acid esters (1,368)
Phenylphosphines and derivatives (1,275)
Methoxybenzenes (1,181)
Phenylpropanes (1,177)
Aniline and substituted anilines (1,109)
Diphenylmethanes (1,055)
Iodobenzenes (1,021)
Nitrobenzoic acids and derivatives (1,012)
Phenylhydrazines (986)
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2-phenoxypropionic acids (35)
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Thiobenzoic acids and derivatives (23)
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Alkyldimethylbenzylammonium halides (20)
Phenylpropylamines (20)
Toluene diisocyanates (18)
Peroxybenzoic acids and derivatives (11)
1 2-Dihalobenzenes (9)
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4,051 – 4,065 of 69,573 results
4,051
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4-Phenylazophenol, 98%

CAS: 1689-82-3 Molecular Formula: C12H10N2O Molecular Weight (g/mol): 198.23 MDL Number: MFCD00002330 InChI Key: JTSBGMZPPPULTA-UHFFFAOYSA-N Synonym: 4-hydroxyazobenzene,4-phenylazophenol,4-phenyldiazenyl phenol,solvent yellow 7,p-phenylazophenol,4-phenylazo phenol,p-hydroxyazobenzene,organol yellow ap,c.i. solvent yellow 7,phenol, 4-phenylazo PubChem CID: 5354198 IUPAC Name: 4-(phenylhydrazinylidene)cyclohexa-2,5-dien-1-one SMILES: O=C1C=CC(C=C1)=NNC1=CC=CC=C1

PubChem CID 5354198
CAS 1689-82-3
Molecular Weight (g/mol) 198.23
MDL Number MFCD00002330
SMILES O=C1C=CC(C=C1)=NNC1=CC=CC=C1
Synonym 4-hydroxyazobenzene,4-phenylazophenol,4-phenyldiazenyl phenol,solvent yellow 7,p-phenylazophenol,4-phenylazo phenol,p-hydroxyazobenzene,organol yellow ap,c.i. solvent yellow 7,phenol, 4-phenylazo
IUPAC Name 4-(phenylhydrazinylidene)cyclohexa-2,5-dien-1-one
InChI Key JTSBGMZPPPULTA-UHFFFAOYSA-N
Molecular Formula C12H10N2O
4,052
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3-Dimethylaminobenzoic acid, 99%

CAS: 99-64-9 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00002497 InChI Key: NEGFNJRAUMCZMY-UHFFFAOYSA-N Synonym: 3-dimethylamino benzoic acid,benzoic acid, 3-dimethylamino,m-dimethylamino benzoic acid,m-dimethylaminobenzoic acid,n,n-dimethyl-m-aminobenzoic acid,3-dimethylamino-benzoic acid,3-n,n-dimethylaminobenzoic acid,benzoic acid, m-dimethylamino,m-dimethylamino-benzoic acid PubChem CID: 66837 IUPAC Name: 3-(dimethylamino)benzoic acid SMILES: CN(C)C1=CC=CC(=C1)C(=O)O

PubChem CID 66837
CAS 99-64-9
Molecular Weight (g/mol) 165.19
MDL Number MFCD00002497
SMILES CN(C)C1=CC=CC(=C1)C(=O)O
Synonym 3-dimethylamino benzoic acid,benzoic acid, 3-dimethylamino,m-dimethylamino benzoic acid,m-dimethylaminobenzoic acid,n,n-dimethyl-m-aminobenzoic acid,3-dimethylamino-benzoic acid,3-n,n-dimethylaminobenzoic acid,benzoic acid, m-dimethylamino,m-dimethylamino-benzoic acid
IUPAC Name 3-(dimethylamino)benzoic acid
InChI Key NEGFNJRAUMCZMY-UHFFFAOYSA-N
Molecular Formula C9H11NO2
4,053
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4-Bromo-2-methylanisole, 98+%

CAS: 14804-31-0 Molecular Formula: C8H9BrO Molecular Weight (g/mol): 201.063 MDL Number: MFCD01321139 InChI Key: UDLRGQOHGYWLCS-UHFFFAOYSA-N Synonym: 4-bromo-2-methylanisole,5-bromo-2-methoxytoluene,benzene, 4-bromo-1-methoxy-2-methyl,4-bromo-1-methoxy-2-methyl-benzene,2-methyl-4-bromoanisole,4-bromo2-methylanisole,acmc-1cfej,4-bromo2-methyl-anisole,4-bromo-2-methyl anisole,4-bromo-2-methyl-anisole PubChem CID: 608315 IUPAC Name: 4-bromo-1-methoxy-2-methylbenzene SMILES: CC1=C(C=CC(=C1)Br)OC

PubChem CID 608315
CAS 14804-31-0
Molecular Weight (g/mol) 201.063
MDL Number MFCD01321139
SMILES CC1=C(C=CC(=C1)Br)OC
Synonym 4-bromo-2-methylanisole,5-bromo-2-methoxytoluene,benzene, 4-bromo-1-methoxy-2-methyl,4-bromo-1-methoxy-2-methyl-benzene,2-methyl-4-bromoanisole,4-bromo2-methylanisole,acmc-1cfej,4-bromo2-methyl-anisole,4-bromo-2-methyl anisole,4-bromo-2-methyl-anisole
IUPAC Name 4-bromo-1-methoxy-2-methylbenzene
InChI Key UDLRGQOHGYWLCS-UHFFFAOYSA-N
Molecular Formula C8H9BrO
4,054
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Acetanilide, 99%, Spectrum™ Chemical
SDP

CAS: 103-84-4

CAS 103-84-4
4,055
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Dioctyl Phthalate, 98%, Spectrum™ Chemical
SDP

CAS: 117-81-7

CAS 117-81-7
4,056
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1-Bromo-4-fluorobenzene, 99%

CAS: 460-00-4 Molecular Formula: C6H4BrF Molecular Weight (g/mol): 175.00 MDL Number: MFCD00000342 InChI Key: AITNMTXHTIIIBB-UHFFFAOYSA-N Synonym: 4-bromofluorobenzene,p-bromofluorobenzene,p-fluorobromobenzene,4-fluorobromobenzene,benzene, 1-bromo-4-fluoro,4-fluorophenyl bromide,1-fluoro-4-bromobenzene,4-fluoro-1-bromobenzene,p-fluorophenyl bromide,bromo fluorobenzene PubChem CID: 9993 IUPAC Name: 1-bromo-4-fluorobenzene SMILES: FC1=CC=C(Br)C=C1

PubChem CID 9993
CAS 460-00-4
Molecular Weight (g/mol) 175.00
MDL Number MFCD00000342
SMILES FC1=CC=C(Br)C=C1
Synonym 4-bromofluorobenzene,p-bromofluorobenzene,p-fluorobromobenzene,4-fluorobromobenzene,benzene, 1-bromo-4-fluoro,4-fluorophenyl bromide,1-fluoro-4-bromobenzene,4-fluoro-1-bromobenzene,p-fluorophenyl bromide,bromo fluorobenzene
IUPAC Name 1-bromo-4-fluorobenzene
InChI Key AITNMTXHTIIIBB-UHFFFAOYSA-N
Molecular Formula C6H4BrF
4,057
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3-Nitrobenzaldehyde, Spectrum™ Chemical
SDP

CAS: 99-61-6

CAS 99-61-6
4,058
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Heptyl 4-Hydroxybenzoate, Spectrum™ Chemical
SDP

CAS: 1085-12-7 Molecular Formula: C14H20O3 Molecular Weight (g/mol): 236.31 InChI Key: ZTJORNVITHUQJA-UHFFFAOYSA-N IUPAC Name: heptyl 4-hydroxybenzoate SMILES: CCCCCCCOC(=O)C1=CC=C(O)C=C1

CAS 1085-12-7
Molecular Weight (g/mol) 236.31
SMILES CCCCCCCOC(=O)C1=CC=C(O)C=C1
IUPAC Name heptyl 4-hydroxybenzoate
InChI Key ZTJORNVITHUQJA-UHFFFAOYSA-N
Molecular Formula C14H20O3
4,059
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4-Methylbenzotrifluoride, 98%

CAS: 6140-17-6 Molecular Formula: C8H7F3 Molecular Weight (g/mol): 160.14 MDL Number: MFCD00075476 InChI Key: LRLRAYMYEXQKID-UHFFFAOYSA-N Synonym: 4-methylbenzotrifluoride,1-methyl-4-trifluoromethyl benzene,4-trifluoromethyl toluene,p-methylbenzotrifluoride,alpha,alpha,alpha-trifluoro-p-xylene,benzene, 1-methyl-4-trifluoromethyl,4-methyl-1-trifluoromethyl benzene,1-methyl-4-trifluormethyl benzol,pubchem1659,p-trifluoromethyltoluene PubChem CID: 80230 IUPAC Name: 1-methyl-4-(trifluoromethyl)benzene SMILES: CC1=CC=C(C=C1)C(F)(F)F

PubChem CID 80230
CAS 6140-17-6
Molecular Weight (g/mol) 160.14
MDL Number MFCD00075476
SMILES CC1=CC=C(C=C1)C(F)(F)F
Synonym 4-methylbenzotrifluoride,1-methyl-4-trifluoromethyl benzene,4-trifluoromethyl toluene,p-methylbenzotrifluoride,alpha,alpha,alpha-trifluoro-p-xylene,benzene, 1-methyl-4-trifluoromethyl,4-methyl-1-trifluoromethyl benzene,1-methyl-4-trifluormethyl benzol,pubchem1659,p-trifluoromethyltoluene
IUPAC Name 1-methyl-4-(trifluoromethyl)benzene
InChI Key LRLRAYMYEXQKID-UHFFFAOYSA-N
Molecular Formula C8H7F3
4,060
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4-Chlorobenzoyl chloride, 99+%

CAS: 122-01-0 Molecular Formula: C7H4Cl2O Molecular Weight (g/mol): 175.01 InChI Key: RKIDDEGICSMIJA-UHFFFAOYSA-N Synonym: benzoyl chloride, 4-chloro,p-chlorobenzoyl chloride,para-chlorobenzoyl chloride,4-chlorobenzoic acid chloride,4-chlorobenzoylchloride,4-chloro benzoyl chloride,benzoylchloride, 4-chloro,benzoyl chloride, p-chloro,ccris 8935,pcboc PubChem CID: 8501 ChEBI: CHEBI:60716 IUPAC Name: 4-chlorobenzoyl chloride SMILES: C1=CC(=CC=C1C(=O)Cl)Cl

PubChem CID 8501
CAS 122-01-0
Molecular Weight (g/mol) 175.01
ChEBI CHEBI:60716
SMILES C1=CC(=CC=C1C(=O)Cl)Cl
Synonym benzoyl chloride, 4-chloro,p-chlorobenzoyl chloride,para-chlorobenzoyl chloride,4-chlorobenzoic acid chloride,4-chlorobenzoylchloride,4-chloro benzoyl chloride,benzoylchloride, 4-chloro,benzoyl chloride, p-chloro,ccris 8935,pcboc
IUPAC Name 4-chlorobenzoyl chloride
InChI Key RKIDDEGICSMIJA-UHFFFAOYSA-N
Molecular Formula C7H4Cl2O
4,061
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2-Chloro-5-(trifluoromethyl)phenyl isocyanate, 97%

CAS: 50528-86-4 Molecular Formula: C8H3ClF3NO Molecular Weight (g/mol): 221.563 MDL Number: MFCD00037029 InChI Key: WEPYOPYMWSHRIW-UHFFFAOYSA-N Synonym: 2-chloro-5-trifluoromethyl phenyl isocyanate,1-chloro-2-isocyanato-4-trifluoromethyl benzene,isocyanic acid 2-chloro-5-trifluoromethyl phenyl ester,2-chloro-5-trifluoromethylphenyl isocyanate,2-chloro-5-trifluoromethyl phenylisocyanate,2-chloro-5-trifluoromethyl benzenisocyanate,pubchem5026,acmc-1aq1j,timtec-bb sbb006656,1-mercapto-2-methyl-propan-2-ol PubChem CID: 2733263 IUPAC Name: 1-chloro-2-isocyanato-4-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1C(F)(F)F)N=C=O)Cl

PubChem CID 2733263
CAS 50528-86-4
Molecular Weight (g/mol) 221.563
MDL Number MFCD00037029
SMILES C1=CC(=C(C=C1C(F)(F)F)N=C=O)Cl
Synonym 2-chloro-5-trifluoromethyl phenyl isocyanate,1-chloro-2-isocyanato-4-trifluoromethyl benzene,isocyanic acid 2-chloro-5-trifluoromethyl phenyl ester,2-chloro-5-trifluoromethylphenyl isocyanate,2-chloro-5-trifluoromethyl phenylisocyanate,2-chloro-5-trifluoromethyl benzenisocyanate,pubchem5026,acmc-1aq1j,timtec-bb sbb006656,1-mercapto-2-methyl-propan-2-ol
IUPAC Name 1-chloro-2-isocyanato-4-(trifluoromethyl)benzene
InChI Key WEPYOPYMWSHRIW-UHFFFAOYSA-N
Molecular Formula C8H3ClF3NO
4,062
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2-(Trifluoromethyl)benzenesulfonyl chloride, 98%

CAS: 776-04-5 Molecular Formula: C7H4ClF3O2S Molecular Weight (g/mol): 244.612 MDL Number: MFCD00051696 InChI Key: ZIZGWNOAHUCACM-UHFFFAOYSA-N Synonym: 2-trifluoromethyl benzenesulfonyl chloride,2-trifluoromethyl benzene-1-sulfonyl chloride,2-trifluoromethylbenzenesulphonyl chloride,2-trifluoromethyl benzenesulphonyl chloride,o-trifluoromethyl benzenesulfonyl chloride,o-trifluoromethylbenzenesulfonyl chloride,2-trifluoromethyl benzene sulfonyl chloride,benzenesulfonyl chloride, 2-trifluoromethyl,alpha,alpha,alpha-trifluorotoluene-2-sulfonyl chloride PubChem CID: 136616 IUPAC Name: 2-(trifluoromethyl)benzenesulfonyl chloride SMILES: C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)Cl

PubChem CID 136616
CAS 776-04-5
Molecular Weight (g/mol) 244.612
MDL Number MFCD00051696
SMILES C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)Cl
Synonym 2-trifluoromethyl benzenesulfonyl chloride,2-trifluoromethyl benzene-1-sulfonyl chloride,2-trifluoromethylbenzenesulphonyl chloride,2-trifluoromethyl benzenesulphonyl chloride,o-trifluoromethyl benzenesulfonyl chloride,o-trifluoromethylbenzenesulfonyl chloride,2-trifluoromethyl benzene sulfonyl chloride,benzenesulfonyl chloride, 2-trifluoromethyl,alpha,alpha,alpha-trifluorotoluene-2-sulfonyl chloride
IUPAC Name 2-(trifluoromethyl)benzenesulfonyl chloride
InChI Key ZIZGWNOAHUCACM-UHFFFAOYSA-N
Molecular Formula C7H4ClF3O2S
4,063
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3-(Trifluoromethyl)benzyl mercaptan, tech. 90%

CAS: 25697-55-6 Molecular Formula: C8H7F3S Molecular Weight (g/mol): 192.199 MDL Number: MFCD00042435 InChI Key: CQIQWIMXCPTQPJ-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzyl mercaptan,3-trifluoromethyl phenyl methanethiol,3-trifluoromethylbenzyl mercaptan,3-trifluoromethyl phenylmethanethiol,3-trifluoromethyl benzylthiol,m-trifluoromethylbenzyl mercaptan,3-trifluoromethyl benzylmercaptan,3-trifluoromethyl phenyl methane-1-thiol,acmc-1cnzu PubChem CID: 141236 IUPAC Name: [3-(trifluoromethyl)phenyl]methanethiol SMILES: C1=CC(=CC(=C1)C(F)(F)F)CS

PubChem CID 141236
CAS 25697-55-6
Molecular Weight (g/mol) 192.199
MDL Number MFCD00042435
SMILES C1=CC(=CC(=C1)C(F)(F)F)CS
Synonym 3-trifluoromethyl benzyl mercaptan,3-trifluoromethyl phenyl methanethiol,3-trifluoromethylbenzyl mercaptan,3-trifluoromethyl phenylmethanethiol,3-trifluoromethyl benzylthiol,m-trifluoromethylbenzyl mercaptan,3-trifluoromethyl benzylmercaptan,3-trifluoromethyl phenyl methane-1-thiol,acmc-1cnzu
IUPAC Name [3-(trifluoromethyl)phenyl]methanethiol
InChI Key CQIQWIMXCPTQPJ-UHFFFAOYSA-N
Molecular Formula C8H7F3S
4,064
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2-Fluoro-5-(trifluoromethyl)anisole, 97%

CAS: 261951-78-4 Molecular Formula: C8H6F4O Molecular Weight (g/mol): 194.129 MDL Number: MFCD01631564 InChI Key: AXEAQZIYCQTHQV-UHFFFAOYSA-N Synonym: 2-fluoro-5-trifluoromethyl anisole,1-fluoro-2-methoxy-4-trifluoromethyl benzene,4-fluoro-3-methoxybenzotrifluoride,pubchem8275,acmc-1ceet,4-fluoro-3-methoxy-benzotrifluoride,1-fluoranyl-2-methoxy-4-trifluoromethyl benzene PubChem CID: 2774771 IUPAC Name: 1-fluoro-2-methoxy-4-(trifluoromethyl)benzene SMILES: COC1=C(C=CC(=C1)C(F)(F)F)F

PubChem CID 2774771
CAS 261951-78-4
Molecular Weight (g/mol) 194.129
MDL Number MFCD01631564
SMILES COC1=C(C=CC(=C1)C(F)(F)F)F
Synonym 2-fluoro-5-trifluoromethyl anisole,1-fluoro-2-methoxy-4-trifluoromethyl benzene,4-fluoro-3-methoxybenzotrifluoride,pubchem8275,acmc-1ceet,4-fluoro-3-methoxy-benzotrifluoride,1-fluoranyl-2-methoxy-4-trifluoromethyl benzene
IUPAC Name 1-fluoro-2-methoxy-4-(trifluoromethyl)benzene
InChI Key AXEAQZIYCQTHQV-UHFFFAOYSA-N
Molecular Formula C8H6F4O
4,065
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3-(Trifluoromethyl)phenylacetic acid, 96%

CAS: 351-35-9 Molecular Formula: C9H7F3O2 Molecular Weight (g/mol): 204.148 MDL Number: MFCD00004339 InChI Key: BLXXCCIBGGBDHI-UHFFFAOYSA-N Synonym: 3-trifluoromethyl phenylacetic acid,m-trifluoromethyl phenylacetic acid,2-3-trifluoromethyl phenyl acetic acid,benzeneacetic acid, 3-trifluoromethyl,3-trifluoromethylphenylacetic acid,3-trifluoromethyl phenyl acetic acid,a,a,a-trifluoro-m-tolyl acetic acid,alpha,alpha,alpha-trifluoro-m-tolyl acetic acid,3-carboxymethyl benzotrifluoride PubChem CID: 67695 IUPAC Name: 2-[3-(trifluoromethyl)phenyl]acetic acid SMILES: C1=CC(=CC(=C1)C(F)(F)F)CC(=O)O

PubChem CID 67695
CAS 351-35-9
Molecular Weight (g/mol) 204.148
MDL Number MFCD00004339
SMILES C1=CC(=CC(=C1)C(F)(F)F)CC(=O)O
Synonym 3-trifluoromethyl phenylacetic acid,m-trifluoromethyl phenylacetic acid,2-3-trifluoromethyl phenyl acetic acid,benzeneacetic acid, 3-trifluoromethyl,3-trifluoromethylphenylacetic acid,3-trifluoromethyl phenyl acetic acid,a,a,a-trifluoro-m-tolyl acetic acid,alpha,alpha,alpha-trifluoro-m-tolyl acetic acid,3-carboxymethyl benzotrifluoride
IUPAC Name 2-[3-(trifluoromethyl)phenyl]acetic acid
InChI Key BLXXCCIBGGBDHI-UHFFFAOYSA-N
Molecular Formula C9H7F3O2