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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 (200)
Phenols (22)
Fluorenes (14)
Naphthalenes (7)
Unsubstituted Phenols (2)
Phenol esters (1)
Pyrenes (1)

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1 – 15 of 218 results
1

2,4-Dichlorobenzyl Cyanide 98.0+%, TCI America™

CAS: 6306-60-1 Molecular Formula: C8H5Cl2N Molecular Weight (g/mol): 186.035 MDL Number: MFCD00001899 InChI Key: VJARIBGMDPJLCL-UHFFFAOYSA-N Synonym: 2,4-dichlorophenylacetonitrile,2-2,4-dichlorophenyl acetonitrile,2,4-dichlorobenzyl cyanide,benzeneacetonitrile, 2,4-dichloro,2,4-dichlorophenyl acetonitrile,2,4-dichlorobenzeneacetonitrile,unii-d9j4c5m11e,acetonitrile, 2,4-dichlorophenyl,2,4-dichloro-phenyl-acetonitrile,2,4-dichlorphenyl acetonitrile PubChem CID: 80566 IUPAC Name: 2-(2,4-dichlorophenyl)acetonitrile SMILES: C1=CC(=C(C=C1Cl)Cl)CC#N

PubChem CID 80566
CAS 6306-60-1
Molecular Weight (g/mol) 186.035
MDL Number MFCD00001899
SMILES C1=CC(=C(C=C1Cl)Cl)CC#N
Synonym 2,4-dichlorophenylacetonitrile,2-2,4-dichlorophenyl acetonitrile,2,4-dichlorobenzyl cyanide,benzeneacetonitrile, 2,4-dichloro,2,4-dichlorophenyl acetonitrile,2,4-dichlorobenzeneacetonitrile,unii-d9j4c5m11e,acetonitrile, 2,4-dichlorophenyl,2,4-dichloro-phenyl-acetonitrile,2,4-dichlorphenyl acetonitrile
IUPAC Name 2-(2,4-dichlorophenyl)acetonitrile
InChI Key VJARIBGMDPJLCL-UHFFFAOYSA-N
Molecular Formula C8H5Cl2N
2

4-Butylbenzoic Acid 98.0+%, TCI America™

CAS: 20651-71-2 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00002571 InChI Key: JFKUBRAOUZEZSL-UHFFFAOYSA-N Synonym: 4-n-butylbenzoic acid,benzoic acid, 4-butyl,4-butyl-benzoic acid,p-butylbenzoic acid,p-n-butylbenzoic acid,p-butyl benzoic acid,4-butylbenzoicacid,p-n-butyl benzoic acid,acmc-209fcp,4-n-butyl-benzoic acid PubChem CID: 88631 IUPAC Name: 4-butylbenzoic acid SMILES: CCCCC1=CC=C(C=C1)C(=O)O

PubChem CID 88631
CAS 20651-71-2
Molecular Weight (g/mol) 178.231
MDL Number MFCD00002571
SMILES CCCCC1=CC=C(C=C1)C(=O)O
Synonym 4-n-butylbenzoic acid,benzoic acid, 4-butyl,4-butyl-benzoic acid,p-butylbenzoic acid,p-n-butylbenzoic acid,p-butyl benzoic acid,4-butylbenzoicacid,p-n-butyl benzoic acid,acmc-209fcp,4-n-butyl-benzoic acid
IUPAC Name 4-butylbenzoic acid
InChI Key JFKUBRAOUZEZSL-UHFFFAOYSA-N
Molecular Formula C11H14O2
3

4-sec-Butylphenol 98.0+%, TCI America™

CAS: 99-71-8 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00002375 InChI Key: ZUTYZAFDFLLILI-UHFFFAOYSA-N PubChem CID: 7453 ChEBI: CHEBI:34442 IUPAC Name: 4-butan-2-ylphenol SMILES: CCC(C)C1=CC=C(C=C1)O

PubChem CID 7453
CAS 99-71-8
Molecular Weight (g/mol) 150.221
ChEBI CHEBI:34442
MDL Number MFCD00002375
SMILES CCC(C)C1=CC=C(C=C1)O
IUPAC Name 4-butan-2-ylphenol
InChI Key ZUTYZAFDFLLILI-UHFFFAOYSA-N
Molecular Formula C10H14O
4

3,4-Difluorobenzenesulfonamide 98.0+%, TCI America™

CAS: 108966-71-8 Molecular Formula: C6H5F2NO2S Molecular Weight (g/mol): 193.17 MDL Number: MFCD00728800 InChI Key: VFVVRYNJTGHAIE-UHFFFAOYSA-N PubChem CID: 822865 IUPAC Name: 3,4-difluorobenzene-1-sulfonamide SMILES: NS(=O)(=O)C1=CC=C(F)C(F)=C1

PubChem CID 822865
CAS 108966-71-8
Molecular Weight (g/mol) 193.17
MDL Number MFCD00728800
SMILES NS(=O)(=O)C1=CC=C(F)C(F)=C1
IUPAC Name 3,4-difluorobenzene-1-sulfonamide
InChI Key VFVVRYNJTGHAIE-UHFFFAOYSA-N
Molecular Formula C6H5F2NO2S
5

3-Bromo-4-fluorobenzyl Bromide 97.0+%, TCI America™

CAS: 78239-71-1 Molecular Formula: C7H5Br2F Molecular Weight (g/mol): 267.92 MDL Number: MFCD09037367 InChI Key: ZRWSODQPUJMFRV-UHFFFAOYSA-N PubChem CID: 12922710 IUPAC Name: 2-bromo-4-(bromomethyl)-1-fluorobenzene SMILES: FC1=C(Br)C=C(CBr)C=C1

PubChem CID 12922710
CAS 78239-71-1
Molecular Weight (g/mol) 267.92
MDL Number MFCD09037367
SMILES FC1=C(Br)C=C(CBr)C=C1
IUPAC Name 2-bromo-4-(bromomethyl)-1-fluorobenzene
InChI Key ZRWSODQPUJMFRV-UHFFFAOYSA-N
Molecular Formula C7H5Br2F
6

4-Fluoro-3-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 453-71-4 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD00007058 InChI Key: BOJWTAQWPVBIPG-UHFFFAOYSA-N Synonym: 4-fluoro-3-nitrobenzoic acid,3-nitro-4-fluorobenzoic acid,p-fluoro-3-nitrobenzoic acid,4-fluoro-3-nitrobenzoicacid,5-carboxy-2-fluoronitrobenzene,benzoic acid, 4-fluoro-3-nitro,4-fluoro-3-nitro-benzoic acid,pubchem1306,acmc-1aqvm,3-nitro-4-flurobenzoic acid PubChem CID: 67987 IUPAC Name: 4-fluoro-3-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(F)C(=C1)[N+]([O-])=O

PubChem CID 67987
CAS 453-71-4
Molecular Weight (g/mol) 185.11
MDL Number MFCD00007058
SMILES OC(=O)C1=CC=C(F)C(=C1)[N+]([O-])=O
Synonym 4-fluoro-3-nitrobenzoic acid,3-nitro-4-fluorobenzoic acid,p-fluoro-3-nitrobenzoic acid,4-fluoro-3-nitrobenzoicacid,5-carboxy-2-fluoronitrobenzene,benzoic acid, 4-fluoro-3-nitro,4-fluoro-3-nitro-benzoic acid,pubchem1306,acmc-1aqvm,3-nitro-4-flurobenzoic acid
IUPAC Name 4-fluoro-3-nitrobenzoic acid
InChI Key BOJWTAQWPVBIPG-UHFFFAOYSA-N
Molecular Formula C7H4FNO4
7

4-(2-Methoxyethyl)phenol 98.0+%, TCI America™

CAS: 56718-71-9 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.193 MDL Number: MFCD00017537 InChI Key: FAYGEALAEQKPDI-UHFFFAOYSA-N Synonym: 4-2-methoxyethyl phenol,p-2-methoxyethyl phenol,phenol, 4-2-methoxyethyl,4-methoxyethylphenol,unii-py1w0akw8i,metoprolol impurity b,metoprolol impurity i,py1w0akw8i,4-hydroxyphenylethyl methyl ether PubChem CID: 92516 IUPAC Name: 4-(2-methoxyethyl)phenol SMILES: COCCC1=CC=C(C=C1)O

PubChem CID 92516
CAS 56718-71-9
Molecular Weight (g/mol) 152.193
MDL Number MFCD00017537
SMILES COCCC1=CC=C(C=C1)O
Synonym 4-2-methoxyethyl phenol,p-2-methoxyethyl phenol,phenol, 4-2-methoxyethyl,4-methoxyethylphenol,unii-py1w0akw8i,metoprolol impurity b,metoprolol impurity i,py1w0akw8i,4-hydroxyphenylethyl methyl ether
IUPAC Name 4-(2-methoxyethyl)phenol
InChI Key FAYGEALAEQKPDI-UHFFFAOYSA-N
Molecular Formula C9H12O2
8

4-Hydroxy-3-methoxyphenylpyruvic Acid 95.0+%, TCI America™

CAS: 1081-71-6 Molecular Formula: C10H10O5 Molecular Weight (g/mol): 210.185 MDL Number: MFCD00056707 InChI Key: YGQHQTMRZPHIBB-UHFFFAOYSA-N PubChem CID: 14124 IUPAC Name: 3-(4-hydroxy-3-methoxyphenyl)-2-oxopropanoic acid SMILES: COC1=C(C=CC(=C1)CC(=O)C(=O)O)O

PubChem CID 14124
CAS 1081-71-6
Molecular Weight (g/mol) 210.185
MDL Number MFCD00056707
SMILES COC1=C(C=CC(=C1)CC(=O)C(=O)O)O
IUPAC Name 3-(4-hydroxy-3-methoxyphenyl)-2-oxopropanoic acid
InChI Key YGQHQTMRZPHIBB-UHFFFAOYSA-N
Molecular Formula C10H10O5
9

4-Bromo-2-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 99277-71-1 Molecular Formula: C7H3BrNO4 Molecular Weight (g/mol): 245.01 MDL Number: MFCD01013599 InChI Key: ZIRHHEZLJGORGU-UHFFFAOYSA-M Synonym: 4-bromo-2-nitrobenzoic acid,4-bromo-2-nitro-benzoic acid,2-nitro-4-bromobenzoic acid,5-bromo-2-carboxynitrobenzene,benzoic acid, 4-bromo-2-nitro,4-bromo-2-nitrobenzoicacid,pubchem2055,4-bromo-2-nitrobenzoic,acmc-209sc4,bromonitrobenzoicacid 42- PubChem CID: 3774467 IUPAC Name: 4-bromo-2-nitrobenzoate SMILES: [O-]C(=O)C1=CC=C(Br)C=C1[N+]([O-])=O

PubChem CID 3774467
CAS 99277-71-1
Molecular Weight (g/mol) 245.01
MDL Number MFCD01013599
SMILES [O-]C(=O)C1=CC=C(Br)C=C1[N+]([O-])=O
Synonym 4-bromo-2-nitrobenzoic acid,4-bromo-2-nitro-benzoic acid,2-nitro-4-bromobenzoic acid,5-bromo-2-carboxynitrobenzene,benzoic acid, 4-bromo-2-nitro,4-bromo-2-nitrobenzoicacid,pubchem2055,4-bromo-2-nitrobenzoic,acmc-209sc4,bromonitrobenzoicacid 42-
IUPAC Name 4-bromo-2-nitrobenzoate
InChI Key ZIRHHEZLJGORGU-UHFFFAOYSA-M
Molecular Formula C7H3BrNO4
10

4-Amino-3-chlorobenzoic Acid 97.0+%, TCI America™

CAS: 2486-71-7 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00460423 InChI Key: YIYBPEDZAUFQLO-UHFFFAOYSA-N Synonym: 4-amino-3-chloro-benzoic acid,3-chloro-4-aminobenzoic acid,4-amino-3-chlorbenzoic acid,benzoic acid, 4-amino-3-chloro,4-amino-3-chlorobenzoicacid,4-amino-3-chloro-benzoicacid,4-amnio-3-chlorobenzioc acid,pubchem4652,acmc-209gf7,ksc494k4j PubChem CID: 17211 IUPAC Name: 4-amino-3-chlorobenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)Cl)N

PubChem CID 17211
CAS 2486-71-7
Molecular Weight (g/mol) 171.58
MDL Number MFCD00460423
SMILES C1=CC(=C(C=C1C(=O)O)Cl)N
Synonym 4-amino-3-chloro-benzoic acid,3-chloro-4-aminobenzoic acid,4-amino-3-chlorbenzoic acid,benzoic acid, 4-amino-3-chloro,4-amino-3-chlorobenzoicacid,4-amino-3-chloro-benzoicacid,4-amnio-3-chlorobenzioc acid,pubchem4652,acmc-209gf7,ksc494k4j
IUPAC Name 4-amino-3-chlorobenzoic acid
InChI Key YIYBPEDZAUFQLO-UHFFFAOYSA-N
Molecular Formula C7H6ClNO2
11

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

CAS: 2200-71-7 Molecular Formula: C14H6F8O2 Molecular Weight (g/mol): 358.19 MDL Number: MFCD00039802 InChI Key: TVUPJKALGKCABC-UHFFFAOYSA-N PubChem CID: 262954 IUPAC Name: 2,2',3,3',5,5',6,6'-octafluoro-4,4'-dimethoxy-1,1'-biphenyl SMILES: COC1=C(F)C(F)=C(C(F)=C1F)C1=C(F)C(F)=C(OC)C(F)=C1F

PubChem CID 262954
CAS 2200-71-7
Molecular Weight (g/mol) 358.19
MDL Number MFCD00039802
SMILES COC1=C(F)C(F)=C(C(F)=C1F)C1=C(F)C(F)=C(OC)C(F)=C1F
IUPAC Name 2,2',3,3',5,5',6,6'-octafluoro-4,4'-dimethoxy-1,1'-biphenyl
InChI Key TVUPJKALGKCABC-UHFFFAOYSA-N
Molecular Formula C14H6F8O2
12

2,6-Dimethyl-4-nitrophenol 98.0+%, TCI America™

CAS: 2423-71-4 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD00007339 InChI Key: FNORUNUDZNWQFF-UHFFFAOYSA-N Synonym: 4-nitro-2,6-xylenol,2,6-xylenol, 4-nitro,4-nitro-2,6-dimethylphenol,phenol, 2,6-dimethyl-4-nitro,phenol,2,6-dimethyl-4-nitro,acmc-1cljn,2, 4-nitro,intermediates-zcf02651,2,6-dimethyl4-nitrophenol,phenol,6-dimethyl-4-nitro PubChem CID: 17030 IUPAC Name: 2,6-dimethyl-4-nitrophenol SMILES: CC1=CC(=CC(=C1O)C)[N+](=O)[O-]

PubChem CID 17030
CAS 2423-71-4
Molecular Weight (g/mol) 167.164
MDL Number MFCD00007339
SMILES CC1=CC(=CC(=C1O)C)[N+](=O)[O-]
Synonym 4-nitro-2,6-xylenol,2,6-xylenol, 4-nitro,4-nitro-2,6-dimethylphenol,phenol, 2,6-dimethyl-4-nitro,phenol,2,6-dimethyl-4-nitro,acmc-1cljn,2, 4-nitro,intermediates-zcf02651,2,6-dimethyl4-nitrophenol,phenol,6-dimethyl-4-nitro
IUPAC Name 2,6-dimethyl-4-nitrophenol
InChI Key FNORUNUDZNWQFF-UHFFFAOYSA-N
Molecular Formula C8H9NO3
13

3,4-Dimethylbenzaldehyde 95.0+%, TCI America™

CAS: 5973-71-7 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00016612 InChI Key: POQJHLBMLVTHAU-UHFFFAOYSA-N Synonym: benzaldehyde, 3,4-dimethyl,unii-16g1j12arb,4-formyl-o-xylene,o-xylene-4-carboxaldehyde,3,4-dimethyl-benzaldehyde,3 pound not4-dimethylbenzaldehyde,pubchem2535,3,4 dimethyl benzaldehyde,3,4-di-methylbenzaldehyde,3,4-dimethyl benzaldehyde PubChem CID: 22278 IUPAC Name: 3,4-dimethylbenzaldehyde SMILES: CC1=C(C=C(C=C1)C=O)C

PubChem CID 22278
CAS 5973-71-7
Molecular Weight (g/mol) 134.178
MDL Number MFCD00016612
SMILES CC1=C(C=C(C=C1)C=O)C
Synonym benzaldehyde, 3,4-dimethyl,unii-16g1j12arb,4-formyl-o-xylene,o-xylene-4-carboxaldehyde,3,4-dimethyl-benzaldehyde,3 pound not4-dimethylbenzaldehyde,pubchem2535,3,4 dimethyl benzaldehyde,3,4-di-methylbenzaldehyde,3,4-dimethyl benzaldehyde
IUPAC Name 3,4-dimethylbenzaldehyde
InChI Key POQJHLBMLVTHAU-UHFFFAOYSA-N
Molecular Formula C9H10O
14

4-Hydroxy-4'-methoxybiphenyl 95.0+%, TCI America™

CAS: 16881-71-3 Molecular Formula: C13H12O2 Molecular Weight (g/mol): 200.237 MDL Number: MFCD00191514 InChI Key: CORJIEYQXMZUIW-UHFFFAOYSA-N PubChem CID: 11030839 IUPAC Name: 4-(4-methoxyphenyl)phenol SMILES: COC1=CC=C(C=C1)C2=CC=C(C=C2)O

PubChem CID 11030839
CAS 16881-71-3
Molecular Weight (g/mol) 200.237
MDL Number MFCD00191514
SMILES COC1=CC=C(C=C1)C2=CC=C(C=C2)O
IUPAC Name 4-(4-methoxyphenyl)phenol
InChI Key CORJIEYQXMZUIW-UHFFFAOYSA-N
Molecular Formula C13H12O2
15

2,4,6-Trimethylbenzyl Cyanide 98.0+%, TCI America™

CAS: 34688-71-6 Molecular Formula: C11H13N Molecular Weight (g/mol): 159.232 MDL Number: MFCD00013815 InChI Key: SDKQOGSGNPGPRN-UHFFFAOYSA-N Synonym: mesitylacetonitrile,2,4,6-trimethylphenylacetonitrile,2-mesitylacetonitrile,2-2,4,6-trimethylphenyl acetonitrile,2,4,6-trimethylbenzyl cyanide,benzeneacetonitrile, 2,4,6-trimethyl,2,4,6-trimethylphenyl acetonitrile,2-2,4,6-trimethylphenyl ethanenitrile,mesitylacetonitrile # PubChem CID: 520698 IUPAC Name: 2-(2,4,6-trimethylphenyl)acetonitrile SMILES: CC1=CC(=C(C(=C1)C)CC#N)C

PubChem CID 520698
CAS 34688-71-6
Molecular Weight (g/mol) 159.232
MDL Number MFCD00013815
SMILES CC1=CC(=C(C(=C1)C)CC#N)C
Synonym mesitylacetonitrile,2,4,6-trimethylphenylacetonitrile,2-mesitylacetonitrile,2-2,4,6-trimethylphenyl acetonitrile,2,4,6-trimethylbenzyl cyanide,benzeneacetonitrile, 2,4,6-trimethyl,2,4,6-trimethylphenyl acetonitrile,2-2,4,6-trimethylphenyl ethanenitrile,mesitylacetonitrile #
IUPAC Name 2-(2,4,6-trimethylphenyl)acetonitrile
InChI Key SDKQOGSGNPGPRN-UHFFFAOYSA-N
Molecular Formula C11H13N