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Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.
Benzene and substituted derivatives (137)
Phenols (16)
Naphthalenes (14)
Tetralins (7)
Thiophenols (2)
Unsubstituted Phenols (2)
Dibenzocycloheptenes (1)
Fluorenes (1)
Indanes (1)
Phenol esters (1)

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1 – 15 of 157 results
1

3-Nitrotoluene 99.0+%, TCI America™

CAS: 99-08-1 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007265 InChI Key: QZYHIOPPLUPUJF-UHFFFAOYSA-N Synonym: 3-nitrotoluene,m-nitrotoluene,3-nitrotoluol,benzene, 1-methyl-3-nitro,m-methylnitrobenzene,toluene, m-nitro,meta-nitrotoluol,3-methylnitrobenzene,m-nitrotoluol,nitrotoluene, m PubChem CID: 7422 ChEBI: CHEBI:39931 IUPAC Name: 1-methyl-3-nitrobenzene SMILES: CC1=CC=CC(=C1)[N+]([O-])=O

PubChem CID 7422
CAS 99-08-1
Molecular Weight (g/mol) 137.14
ChEBI CHEBI:39931
MDL Number MFCD00007265
SMILES CC1=CC=CC(=C1)[N+]([O-])=O
Synonym 3-nitrotoluene,m-nitrotoluene,3-nitrotoluol,benzene, 1-methyl-3-nitro,m-methylnitrobenzene,toluene, m-nitro,meta-nitrotoluol,3-methylnitrobenzene,m-nitrotoluol,nitrotoluene, m
IUPAC Name 1-methyl-3-nitrobenzene
InChI Key QZYHIOPPLUPUJF-UHFFFAOYSA-N
Molecular Formula C7H7NO2
2

4-Acetamidobenzoic Acid 98.0+%, TCI America™

CAS: 556-08-1 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.175 MDL Number: MFCD00002534 InChI Key: QCXJEYYXVJIFCE-UHFFFAOYSA-N Synonym: acedoben,p-acetamidobenzoic acid,4-acetylamino benzoic acid,4-carboxyacetanilide,4-acetylaminobenzoic acid,benzoic acid, 4-acetylamino,p-acetylamino benzoic acid,p-acetoaminobenzoic acid,p-acetaminobenzoic acid,n-acetyl-p-aminobenzoic acid PubChem CID: 19266 ChEBI: CHEBI:46171 IUPAC Name: 4-acetamidobenzoic acid SMILES: CC(=O)NC1=CC=C(C=C1)C(=O)O

PubChem CID 19266
CAS 556-08-1
Molecular Weight (g/mol) 179.175
ChEBI CHEBI:46171
MDL Number MFCD00002534
SMILES CC(=O)NC1=CC=C(C=C1)C(=O)O
Synonym acedoben,p-acetamidobenzoic acid,4-acetylamino benzoic acid,4-carboxyacetanilide,4-acetylaminobenzoic acid,benzoic acid, 4-acetylamino,p-acetylamino benzoic acid,p-acetoaminobenzoic acid,p-acetaminobenzoic acid,n-acetyl-p-aminobenzoic acid
IUPAC Name 4-acetamidobenzoic acid
InChI Key QCXJEYYXVJIFCE-UHFFFAOYSA-N
Molecular Formula C9H9NO3
3

4-Iodophenetole 98.0+%, TCI America™

CAS: 699-08-1 Molecular Formula: C8H9IO Molecular Weight (g/mol): 248.063 MDL Number: MFCD00061124 InChI Key: VSIIHWOJPSSIDI-UHFFFAOYSA-N Synonym: 4-iodophenetole,p-iodophenetole,1-ethoxy-4-iodo-benzene,4-ethoxyiodobenzene,4-ethoxy-4-iodobenzene,benzene, 1-ethoxy-4-iodo,4-iodophenyl ethyl ether,phenetole, p-iodo,p-ethoxyiodobenzene,ethyl 4-iodophenyl ether PubChem CID: 220700 IUPAC Name: 1-ethoxy-4-iodobenzene SMILES: CCOC1=CC=C(C=C1)I

PubChem CID 220700
CAS 699-08-1
Molecular Weight (g/mol) 248.063
MDL Number MFCD00061124
SMILES CCOC1=CC=C(C=C1)I
Synonym 4-iodophenetole,p-iodophenetole,1-ethoxy-4-iodo-benzene,4-ethoxyiodobenzene,4-ethoxy-4-iodobenzene,benzene, 1-ethoxy-4-iodo,4-iodophenyl ethyl ether,phenetole, p-iodo,p-ethoxyiodobenzene,ethyl 4-iodophenyl ether
IUPAC Name 1-ethoxy-4-iodobenzene
InChI Key VSIIHWOJPSSIDI-UHFFFAOYSA-N
Molecular Formula C8H9IO
4

2-Anthracenecarboxylic Acid 98.0+%, TCI America™

CAS: 613-08-1 Molecular Formula: C15H10O2 Molecular Weight (g/mol): 222.243 MDL Number: MFCD00142865 InChI Key: RZRJYURCNBXIST-UHFFFAOYSA-N Synonym: 2-Anthroic Acid PubChem CID: 101325 ChEBI: CHEBI:38995 IUPAC Name: anthracene-2-carboxylic acid SMILES: C1=CC=C2C=C3C=C(C=CC3=CC2=C1)C(=O)O

PubChem CID 101325
CAS 613-08-1
Molecular Weight (g/mol) 222.243
ChEBI CHEBI:38995
MDL Number MFCD00142865
SMILES C1=CC=C2C=C3C=C(C=CC3=CC2=C1)C(=O)O
Synonym 2-Anthroic Acid
IUPAC Name anthracene-2-carboxylic acid
InChI Key RZRJYURCNBXIST-UHFFFAOYSA-N
Molecular Formula C15H10O2
5

2-Hydroxy-1-naphthoic Acid 98.0+%, TCI America™

CAS: 2283-08-1 Molecular Formula: C11H8O3 Molecular Weight (g/mol): 188.18 MDL Number: MFCD00004009 InChI Key: UPHOPMSGKZNELG-UHFFFAOYSA-N Synonym: 2-hydroxy-1-naphthoic acid,1-naphthalenecarboxylic acid, 2-hydroxy,hydroxynaphthoic acid,1-naphthoic acid, 2-hydroxy,unii-e3h4qz94uy,e3h4qz94uy,1-naphthalenecarboxylic acid, hydroxy,2-hydroxynaphthalenecarboxylic acid,2-hydroxy-1-naphthoicacid,2-hydroxynaphtoic acid PubChem CID: 16790 IUPAC Name: 2-hydroxynaphthalene-1-carboxylic acid SMILES: C1=CC=C2C(=C1)C=CC(=C2C(=O)O)O

PubChem CID 16790
CAS 2283-08-1
Molecular Weight (g/mol) 188.18
MDL Number MFCD00004009
SMILES C1=CC=C2C(=C1)C=CC(=C2C(=O)O)O
Synonym 2-hydroxy-1-naphthoic acid,1-naphthalenecarboxylic acid, 2-hydroxy,hydroxynaphthoic acid,1-naphthoic acid, 2-hydroxy,unii-e3h4qz94uy,e3h4qz94uy,1-naphthalenecarboxylic acid, hydroxy,2-hydroxynaphthalenecarboxylic acid,2-hydroxy-1-naphthoicacid,2-hydroxynaphtoic acid
IUPAC Name 2-hydroxynaphthalene-1-carboxylic acid
InChI Key UPHOPMSGKZNELG-UHFFFAOYSA-N
Molecular Formula C11H8O3
6

1-(p-Toluenesulfonyl)imidazole 98.0+%, TCI America™

CAS: 2232-08-8 Molecular Formula: C10H10N2O2S Molecular Weight (g/mol): 222.26 MDL Number: MFCD00005285 InChI Key: YJYMYJRAQYREBT-UHFFFAOYSA-N Synonym: 1-p-toluenesulfonyl imidazole,1-tosyl-1h-imidazole,n-tosylimidazole,1-4-methylphenyl sulfonyl-1h-imidazole,1-tosylimidazole,1-p-toluenesulphonyl imidazole,1-p-tolylsulfonyl imidazole,1h-imidazole, 1-4-methylphenyl sulfonyl,1-toluene-p-sulphonyl imidazole,1-4-methylbenzenesulfonyl imidazole PubChem CID: 75219 IUPAC Name: 1-(4-methylbenzenesulfonyl)-1H-imidazole SMILES: CC1=CC=C(C=C1)S(=O)(=O)N1C=CN=C1

PubChem CID 75219
CAS 2232-08-8
Molecular Weight (g/mol) 222.26
MDL Number MFCD00005285
SMILES CC1=CC=C(C=C1)S(=O)(=O)N1C=CN=C1
Synonym 1-p-toluenesulfonyl imidazole,1-tosyl-1h-imidazole,n-tosylimidazole,1-4-methylphenyl sulfonyl-1h-imidazole,1-tosylimidazole,1-p-toluenesulphonyl imidazole,1-p-tolylsulfonyl imidazole,1h-imidazole, 1-4-methylphenyl sulfonyl,1-toluene-p-sulphonyl imidazole,1-4-methylbenzenesulfonyl imidazole
IUPAC Name 1-(4-methylbenzenesulfonyl)-1H-imidazole
InChI Key YJYMYJRAQYREBT-UHFFFAOYSA-N
Molecular Formula C10H10N2O2S
7

1,2-Bis(diphenylphosphino)benzene 98.0+%, TCI America™

CAS: 13991-08-7 Molecular Formula: C30H24P2 Molecular Weight (g/mol): 446.47 MDL Number: MFCD00014081 InChI Key: NFRYVRNCDXULEX-UHFFFAOYSA-N Synonym: 1,2-bis diphenylphosphino benzene,dppbz,dppbe,dppben,dppbenz,o-bis diphenylphosphino benzene,1,2-bis dimethylphosphino benzene,o-phenylenebis diphenylphosphine,phosphine, phenylenebis diphenyl,1,2-bis diphenylphosphanyl benzene PubChem CID: 498379 IUPAC Name: [2-(diphenylphosphanyl)phenyl]diphenylphosphane SMILES: C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1P(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 498379
CAS 13991-08-7
Molecular Weight (g/mol) 446.47
MDL Number MFCD00014081
SMILES C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1P(C1=CC=CC=C1)C1=CC=CC=C1
Synonym 1,2-bis diphenylphosphino benzene,dppbz,dppbe,dppben,dppbenz,o-bis diphenylphosphino benzene,1,2-bis dimethylphosphino benzene,o-phenylenebis diphenylphosphine,phosphine, phenylenebis diphenyl,1,2-bis diphenylphosphanyl benzene
IUPAC Name [2-(diphenylphosphanyl)phenyl]diphenylphosphane
InChI Key NFRYVRNCDXULEX-UHFFFAOYSA-N
Molecular Formula C30H24P2
8

6-Benzylamino-1-hexanol 97.0+%, TCI America™

CAS: 133437-08-8 Molecular Formula: C13H21NO Molecular Weight (g/mol): 207.32 MDL Number: MFCD09038506 InChI Key: ILKSKQBXMQDBFT-UHFFFAOYSA-N Synonym: N-(6-Hydroxyhexyl)benzylamine PubChem CID: 15133217 IUPAC Name: 6-(benzylamino)hexan-1-ol SMILES: OCCCCCCNCC1=CC=CC=C1

PubChem CID 15133217
CAS 133437-08-8
Molecular Weight (g/mol) 207.32
MDL Number MFCD09038506
SMILES OCCCCCCNCC1=CC=CC=C1
Synonym N-(6-Hydroxyhexyl)benzylamine
IUPAC Name 6-(benzylamino)hexan-1-ol
InChI Key ILKSKQBXMQDBFT-UHFFFAOYSA-N
Molecular Formula C13H21NO
9

4-Hydroxy-3-methoxyphenylacetic Acid 98.0+%, TCI America™

CAS: 306-08-1 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.175 MDL Number: MFCD00004350 InChI Key: QRMZSPFSDQBLIX-UHFFFAOYSA-N Synonym: homovanillic acid,4-hydroxy-3-methoxyphenylacetic acid,2-4-hydroxy-3-methoxyphenyl acetic acid,vanillacetic acid,benzeneacetic acid, 4-hydroxy-3-methoxy,3-methoxy-4-hydroxyphenylacetic acid,homovaniuic acid,4-hydroxy-3-methoxyphenyl acetic acid,homovanillate,4-hydroxy-3-methoxybenzeneacetic acid PubChem CID: 1738 ChEBI: CHEBI:545959 IUPAC Name: 2-(4-hydroxy-3-methoxyphenyl)acetic acid SMILES: COC1=C(C=CC(=C1)CC(=O)O)O

PubChem CID 1738
CAS 306-08-1
Molecular Weight (g/mol) 182.175
ChEBI CHEBI:545959
MDL Number MFCD00004350
SMILES COC1=C(C=CC(=C1)CC(=O)O)O
Synonym homovanillic acid,4-hydroxy-3-methoxyphenylacetic acid,2-4-hydroxy-3-methoxyphenyl acetic acid,vanillacetic acid,benzeneacetic acid, 4-hydroxy-3-methoxy,3-methoxy-4-hydroxyphenylacetic acid,homovaniuic acid,4-hydroxy-3-methoxyphenyl acetic acid,homovanillate,4-hydroxy-3-methoxybenzeneacetic acid
IUPAC Name 2-(4-hydroxy-3-methoxyphenyl)acetic acid
InChI Key QRMZSPFSDQBLIX-UHFFFAOYSA-N
Molecular Formula C9H10O4
10

1-(p-Tolyl)piperazine 98.0+%, TCI America™

CAS: 39593-08-3 Molecular Formula: C11H16N2 Molecular Weight (g/mol): 176.263 MDL Number: MFCD00040737 InChI Key: ONEYFZXGNFNRJH-UHFFFAOYSA-N Synonym: 1-4-methylphenyl piperazine,1-p-tolyl piperazine,1-p-tolyl-piperazine,1-4-methylphenyl-piperazine,1-4-methyl phenyl piperazine,1-p-tolylpiperazine,acmc-1adtx,4-methylphenyl piperazine,4-4-methylphenyl piperazine,1-4-methyl-phenyl-piperazine PubChem CID: 83113 IUPAC Name: 1-(4-methylphenyl)piperazine SMILES: CC1=CC=C(C=C1)N2CCNCC2

PubChem CID 83113
CAS 39593-08-3
Molecular Weight (g/mol) 176.263
MDL Number MFCD00040737
SMILES CC1=CC=C(C=C1)N2CCNCC2
Synonym 1-4-methylphenyl piperazine,1-p-tolyl piperazine,1-p-tolyl-piperazine,1-4-methylphenyl-piperazine,1-4-methyl phenyl piperazine,1-p-tolylpiperazine,acmc-1adtx,4-methylphenyl piperazine,4-4-methylphenyl piperazine,1-4-methyl-phenyl-piperazine
IUPAC Name 1-(4-methylphenyl)piperazine
InChI Key ONEYFZXGNFNRJH-UHFFFAOYSA-N
Molecular Formula C11H16N2
11

1,1-Diphenyl-2-thiourea 98.0+%, TCI America™

CAS: 3898-08-6 Molecular Formula: C13H12N2S Molecular Weight (g/mol): 228.31 MDL Number: MFCD00059151 InChI Key: FPZXQVCYHDMIIA-UHFFFAOYSA-N Synonym: N,N-Diphenylthiourea PubChem CID: 3034143 IUPAC Name: 1,1-diphenylthiourea SMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=S)N

PubChem CID 3034143
CAS 3898-08-6
Molecular Weight (g/mol) 228.31
MDL Number MFCD00059151
SMILES C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=S)N
Synonym N,N-Diphenylthiourea
IUPAC Name 1,1-diphenylthiourea
InChI Key FPZXQVCYHDMIIA-UHFFFAOYSA-N
Molecular Formula C13H12N2S
12

1-(4-Methylphenoxy)-2-propanol 90.0+%, TCI America™

CAS: 4369-08-8 Molecular Formula: C10H14O2 Molecular Weight (g/mol): 166.22 MDL Number: MFCD00191544 InChI Key: VTOVIJQMFYQNSX-UHFFFAOYNA-N Synonym: 1-(p-Tolyloxy)-2-propanol PubChem CID: 12384823 IUPAC Name: 1-(4-methylphenoxy)propan-2-ol SMILES: CC1=CC=C(C=C1)OCC(C)O

PubChem CID 12384823
CAS 4369-08-8
Molecular Weight (g/mol) 166.22
MDL Number MFCD00191544
SMILES CC1=CC=C(C=C1)OCC(C)O
Synonym 1-(p-Tolyloxy)-2-propanol
IUPAC Name 1-(4-methylphenoxy)propan-2-ol
InChI Key VTOVIJQMFYQNSX-UHFFFAOYNA-N
Molecular Formula C10H14O2
13

2-(4-Bromophenyl)-4,6-diphenyl-1,3,5-triazine 98.0+%, TCI America™

CAS: 23449-08-3 Molecular Formula: C21H14BrN3 Molecular Weight (g/mol): 388.27 MDL Number: MFCD00194632 InChI Key: AYHGAQGOMUQMTR-UHFFFAOYSA-N PubChem CID: 1728672 IUPAC Name: 2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine SMILES: BrC1=CC=C(C=C1)C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 1728672
CAS 23449-08-3
Molecular Weight (g/mol) 388.27
MDL Number MFCD00194632
SMILES BrC1=CC=C(C=C1)C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1
IUPAC Name 2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine
InChI Key AYHGAQGOMUQMTR-UHFFFAOYSA-N
Molecular Formula C21H14BrN3
14

2-Bromo-4-fluoroanisole 98.0+%, TCI America™

CAS: 452-08-4 Molecular Formula: C7H6BrFO Molecular Weight (g/mol): 205.03 MDL Number: MFCD00012014 InChI Key: JIQXVIJARQLCOY-UHFFFAOYSA-N Synonym: 2-bromo-4-fluoroanisole,benzene, 2-bromo-4-fluoro-1-methoxy,2-bromo-4-fluoro anisole,1-bromo-3-fluoro-6-methoxybenzene,2-bromo-4-fluoro-methoxybenzene,2-bromo-4-fluoro-1-methoxy-benzene,1-bromo-5-fluoro-2-methoxybenzene,attercop-chm at106665,pubchem1972,2-bromo-4-fluoroanisol PubChem CID: 136292 IUPAC Name: 2-bromo-4-fluoro-1-methoxybenzene SMILES: COC1=CC=C(F)C=C1Br

PubChem CID 136292
CAS 452-08-4
Molecular Weight (g/mol) 205.03
MDL Number MFCD00012014
SMILES COC1=CC=C(F)C=C1Br
Synonym 2-bromo-4-fluoroanisole,benzene, 2-bromo-4-fluoro-1-methoxy,2-bromo-4-fluoro anisole,1-bromo-3-fluoro-6-methoxybenzene,2-bromo-4-fluoro-methoxybenzene,2-bromo-4-fluoro-1-methoxy-benzene,1-bromo-5-fluoro-2-methoxybenzene,attercop-chm at106665,pubchem1972,2-bromo-4-fluoroanisol
IUPAC Name 2-bromo-4-fluoro-1-methoxybenzene
InChI Key JIQXVIJARQLCOY-UHFFFAOYSA-N
Molecular Formula C7H6BrFO
15

4,4'-Ethylidenebisphenol 98.0+%, TCI America™

CAS: 2081-08-5 Molecular Formula: C14H14O2 Molecular Weight (g/mol): 214.26 MDL Number: MFCD00191431 InChI Key: HCNHNBLSNVSJTJ-UHFFFAOYSA-N Synonym: 1,1-Bis(4-hydroxyphenyl)ethane, 4,4′C-Ethylidenediphenol PubChem CID: 608116 ChEBI: CHEBI:34029 IUPAC Name: 4-[1-(4-hydroxyphenyl)ethyl]phenol SMILES: CC(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O

PubChem CID 608116
CAS 2081-08-5
Molecular Weight (g/mol) 214.26
ChEBI CHEBI:34029
MDL Number MFCD00191431
SMILES CC(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
Synonym 1,1-Bis(4-hydroxyphenyl)ethane, 4,4′C-Ethylidenediphenol
IUPAC Name 4-[1-(4-hydroxyphenyl)ethyl]phenol
InChI Key HCNHNBLSNVSJTJ-UHFFFAOYSA-N
Molecular Formula C14H14O2