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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 (1,171)
Phenols (36)
Phenol esters (30)
Tetralins (18)
Thiophenols (15)
Naphthalenes (9)
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1 – 15 of 629 results
1

8-Bromo-1-naphthoic acid, Technical Grade, Maybridge™

CAS: 1729-99-3 Molecular Formula: C11H7BrO2 Molecular Weight (g/mol): 251.079 InChI Key: DMEZDDHJCUHENA-UHFFFAOYSA-N Synonym: 8-bromo-1-naphthoic acid,1-naphthalenecarboxylic acid, 8-bromo,maybridge1_002138,8-bromo-1-carboxynaphthalene,8-bromo-1-naphthalenecarboxylic acid,1-naphthalenecarboxylicacid, 8-bromo,8-bromo-naphthalene-1-carboxylic acid PubChem CID: 72873 IUPAC Name: 8-bromonaphthalene-1-carboxylic acid SMILES: C1=CC2=C(C(=C1)C(=O)O)C(=CC=C2)Br

PubChem CID 72873
CAS 1729-99-3
Molecular Weight (g/mol) 251.079
SMILES C1=CC2=C(C(=C1)C(=O)O)C(=CC=C2)Br
Synonym 8-bromo-1-naphthoic acid,1-naphthalenecarboxylic acid, 8-bromo,maybridge1_002138,8-bromo-1-carboxynaphthalene,8-bromo-1-naphthalenecarboxylic acid,1-naphthalenecarboxylicacid, 8-bromo,8-bromo-naphthalene-1-carboxylic acid
IUPAC Name 8-bromonaphthalene-1-carboxylic acid
InChI Key DMEZDDHJCUHENA-UHFFFAOYSA-N
Molecular Formula C11H7BrO2
2

[2-(Tetrahydropyran-4-yloxy)phenyl]methanol, 97%, Thermo Scientific™

CAS: 478189-93-4 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.257 MDL Number: MFCD09064960 InChI Key: RMRHXMQGVDIPCL-UHFFFAOYSA-N Synonym: 2-tetrahydropyran-4-yloxy phenyl methanol,2-oxan-4-yloxy phenyl methanol,2-oxan-4-yl oxy phenyl methanol,2-tetrahydro-2h-pyran-4-yloxy phenyl methanol,2-tetrahydro-2h-pyran-4-yl oxy phenyl methanol,2-2h-3,4,5,6-tetrahydropyran-4-yloxy phenyl methan-1-ol PubChem CID: 22932192 IUPAC Name: [2-(oxan-4-yloxy)phenyl]methanol SMILES: C1COCCC1OC2=CC=CC=C2CO

PubChem CID 22932192
CAS 478189-93-4
Molecular Weight (g/mol) 208.257
MDL Number MFCD09064960
SMILES C1COCCC1OC2=CC=CC=C2CO
Synonym 2-tetrahydropyran-4-yloxy phenyl methanol,2-oxan-4-yloxy phenyl methanol,2-oxan-4-yl oxy phenyl methanol,2-tetrahydro-2h-pyran-4-yloxy phenyl methanol,2-tetrahydro-2h-pyran-4-yl oxy phenyl methanol,2-2h-3,4,5,6-tetrahydropyran-4-yloxy phenyl methan-1-ol
IUPAC Name [2-(oxan-4-yloxy)phenyl]methanol
InChI Key RMRHXMQGVDIPCL-UHFFFAOYSA-N
Molecular Formula C12H16O3
3

(3-Thien-2-ylphenyl)methylamine, ≥97%, Thermo Scientific™

CAS: 859850-86-5 Molecular Formula: C11H11NS Molecular Weight (g/mol): 189.276 MDL Number: MFCD08435868 InChI Key: PZXHYHVAVDOMOR-UHFFFAOYSA-N Synonym: 3-thien-2-ylphenyl methylamine,3-thiophen-2-yl phenyl methanamine,1-3-thiophen-2-yl phenyl methanamine,3-thiophen-2-yl-benzylamine,3-2-thienyl phenyl methylamine,benzenemethanamine,3-2-thienyl PubChem CID: 18525771 IUPAC Name: (3-thiophen-2-ylphenyl)methanamine SMILES: C1=CC(=CC(=C1)CN)C2=CC=CS2

PubChem CID 18525771
CAS 859850-86-5
Molecular Weight (g/mol) 189.276
MDL Number MFCD08435868
SMILES C1=CC(=CC(=C1)CN)C2=CC=CS2
Synonym 3-thien-2-ylphenyl methylamine,3-thiophen-2-yl phenyl methanamine,1-3-thiophen-2-yl phenyl methanamine,3-thiophen-2-yl-benzylamine,3-2-thienyl phenyl methylamine,benzenemethanamine,3-2-thienyl
IUPAC Name (3-thiophen-2-ylphenyl)methanamine
InChI Key PZXHYHVAVDOMOR-UHFFFAOYSA-N
Molecular Formula C11H11NS
4

2-Nitrobenzaldehyde, 97%, Thermo Scientific™

CAS: 552-89-6 Molecular Formula: C7H5NO3 Molecular Weight (g/mol): 151.121 MDL Number: MFCD00007132 InChI Key: CMWKITSNTDAEDT-UHFFFAOYSA-N Synonym: o-nitrobenzaldehyde,benzaldehyde, 2-nitro,nitrobenzaldehyde,benzaldehyde, o-nitro,2-nitro-benzaldehyde,2-formylnitrobenzene,ccris 2322,unii-48b18q9b8e,benzaldehyde, nitro,ortho-nitrobenzaldehyde PubChem CID: 11101 ChEBI: CHEBI:66927 IUPAC Name: 2-nitrobenzaldehyde SMILES: C1=CC=C(C(=C1)C=O)[N+](=O)[O-]

PubChem CID 11101
CAS 552-89-6
Molecular Weight (g/mol) 151.121
ChEBI CHEBI:66927
MDL Number MFCD00007132
SMILES C1=CC=C(C(=C1)C=O)[N+](=O)[O-]
Synonym o-nitrobenzaldehyde,benzaldehyde, 2-nitro,nitrobenzaldehyde,benzaldehyde, o-nitro,2-nitro-benzaldehyde,2-formylnitrobenzene,ccris 2322,unii-48b18q9b8e,benzaldehyde, nitro,ortho-nitrobenzaldehyde
IUPAC Name 2-nitrobenzaldehyde
InChI Key CMWKITSNTDAEDT-UHFFFAOYSA-N
Molecular Formula C7H5NO3
5

2-Chloro-4-(methylsulfonyl)benzoic acid, 95%, Thermo Scientific™

CAS: 53250-83-2 Molecular Formula: C8H6ClO4S Molecular Weight (g/mol): 233.64 MDL Number: MFCD00216496 InChI Key: CTTWSFIIFMWHLQ-UHFFFAOYSA-M Synonym: 2-chloro-4-methylsulfonyl benzoic acid,2-chloro-4-methylsulphonylbenzoic acid,2-chloro-4-methanesulfonylbenzoic acid,benzoic acid, 2-chloro-4-methylsulfonyl,2-chloro-4-methanesulfonyl-benzoic acid,2-chloro-4-methylsulfonyl benzoic acid dry basis,maybridge1_004133,cmba,pubchem20281,acmc-1aupa PubChem CID: 735863 IUPAC Name: 2-chloro-4-methylsulfonylbenzoic acid SMILES: CS(=O)(=O)C1=CC=C(C([O-])=O)C(Cl)=C1

PubChem CID 735863
CAS 53250-83-2
Molecular Weight (g/mol) 233.64
MDL Number MFCD00216496
SMILES CS(=O)(=O)C1=CC=C(C([O-])=O)C(Cl)=C1
Synonym 2-chloro-4-methylsulfonyl benzoic acid,2-chloro-4-methylsulphonylbenzoic acid,2-chloro-4-methanesulfonylbenzoic acid,benzoic acid, 2-chloro-4-methylsulfonyl,2-chloro-4-methanesulfonyl-benzoic acid,2-chloro-4-methylsulfonyl benzoic acid dry basis,maybridge1_004133,cmba,pubchem20281,acmc-1aupa
IUPAC Name 2-chloro-4-methylsulfonylbenzoic acid
InChI Key CTTWSFIIFMWHLQ-UHFFFAOYSA-M
Molecular Formula C8H6ClO4S
6

ethyle2-(phenylthio)acetate, 97%, Thermo Scientific™

CAS: 7605-25-6 Molecular Formula: C10H12O2S Molecular Weight (g/mol): 196.264 MDL Number: MFCD00145107 InChI Key: SEDRTXNDGKRHBL-UHFFFAOYSA-N Synonym: ethyl phenylthio acetate,ethyl 2-phenylthio acetate,ethyl 2-phenylsulfanyl acetate,acetic acid, phenylthio-, ethyl ester,ethyl 2-phenylthioacetate,phenylthio acetic acid ethyl ester,phenylthio acetic acid, ethyl ester,ethyl phenylsulfanyl acetate,pubchem10853 PubChem CID: 97312 IUPAC Name: ethyl 2-phenylsulfanylacetate SMILES: CCOC(=O)CSC1=CC=CC=C1

PubChem CID 97312
CAS 7605-25-6
Molecular Weight (g/mol) 196.264
MDL Number MFCD00145107
SMILES CCOC(=O)CSC1=CC=CC=C1
Synonym ethyl phenylthio acetate,ethyl 2-phenylthio acetate,ethyl 2-phenylsulfanyl acetate,acetic acid, phenylthio-, ethyl ester,ethyl 2-phenylthioacetate,phenylthio acetic acid ethyl ester,phenylthio acetic acid, ethyl ester,ethyl phenylsulfanyl acetate,pubchem10853
IUPAC Name ethyl 2-phenylsulfanylacetate
InChI Key SEDRTXNDGKRHBL-UHFFFAOYSA-N
Molecular Formula C10H12O2S
7

3,5-Di(tert-butyl)-4-hydroxybenzonitrile, 97%, Thermo Scientific™

CAS: 1988-88-1 Molecular Formula: C15H21NO Molecular Weight (g/mol): 231.34 MDL Number: MFCD00156137 InChI Key: AKXIIOLURNATOC-UHFFFAOYSA-N Synonym: 3,5-di-tert-butyl-4-hydroxybenzonitrile,3,5-di tert-butyl-4-hydroxybenzonitrile,benzonitrile, 3,5-bis 1,1-dimethylethyl-4-hydroxy,benzonitrile, 3,5-di-tert-butyl-4-hydroxy,4-cyano-2,6-di-tert-butylphenol,3,5-bis tert-butyl-4-hydroxybenzenecarbonitrile,acmc-20a6ry,2,6-bis tert-butyl-4-cyanophenol,3,5-di-t-butyl-4-hydroxybenzonitrile,4-hydroxy-3,5-di-t-butylbenzonitrile PubChem CID: 137274 SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C#N

PubChem CID 137274
CAS 1988-88-1
Molecular Weight (g/mol) 231.34
MDL Number MFCD00156137
SMILES CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C#N
Synonym 3,5-di-tert-butyl-4-hydroxybenzonitrile,3,5-di tert-butyl-4-hydroxybenzonitrile,benzonitrile, 3,5-bis 1,1-dimethylethyl-4-hydroxy,benzonitrile, 3,5-di-tert-butyl-4-hydroxy,4-cyano-2,6-di-tert-butylphenol,3,5-bis tert-butyl-4-hydroxybenzenecarbonitrile,acmc-20a6ry,2,6-bis tert-butyl-4-cyanophenol,3,5-di-t-butyl-4-hydroxybenzonitrile,4-hydroxy-3,5-di-t-butylbenzonitrile
InChI Key AKXIIOLURNATOC-UHFFFAOYSA-N
Molecular Formula C15H21NO
11

2-bromo-5-fluorophenyl isothiocyanate, Thermo Scientific™

CAS: 175205-35-3 Molecular Formula: C7H3BrFNS Molecular Weight (g/mol): 232.07 MDL Number: MFCD00673194 InChI Key: SSLVXFSUADEZBQ-UHFFFAOYSA-N Synonym: 2-bromo-4-fluorophenyl isothiocyanate,2-bromo-4-fluorophenylisothiocyanate,pubchem5018,acmc-20ao2g,2-bromo-4-fluorobenzenisothiocyanate,benzene,1-bromo-4-fluoro-2-isothiocyanato,2-bromo-4-fluorophenyl isothiocyanate, tech.,benzene, 2-bromo-4-fluoro-1-isothiocyanato,2-bromanyl-4-fluoranyl-1-isothiocyanato-benzene,benzene, 2-bromo-4-fluoro-1-isothiocyanato-9ci PubChem CID: 2736332 IUPAC Name: 2-bromo-4-fluoro-1-isothiocyanatobenzene SMILES: FC1=CC=C(N=C=S)C(Br)=C1

PubChem CID 2736332
CAS 175205-35-3
Molecular Weight (g/mol) 232.07
MDL Number MFCD00673194
SMILES FC1=CC=C(N=C=S)C(Br)=C1
Synonym 2-bromo-4-fluorophenyl isothiocyanate,2-bromo-4-fluorophenylisothiocyanate,pubchem5018,acmc-20ao2g,2-bromo-4-fluorobenzenisothiocyanate,benzene,1-bromo-4-fluoro-2-isothiocyanato,2-bromo-4-fluorophenyl isothiocyanate, tech.,benzene, 2-bromo-4-fluoro-1-isothiocyanato,2-bromanyl-4-fluoranyl-1-isothiocyanato-benzene,benzene, 2-bromo-4-fluoro-1-isothiocyanato-9ci
IUPAC Name 2-bromo-4-fluoro-1-isothiocyanatobenzene
InChI Key SSLVXFSUADEZBQ-UHFFFAOYSA-N
Molecular Formula C7H3BrFNS
12

2-Nitro-4-(trifluoromethoxy)aniline, 95%, Thermo Scientific™

CAS: 2267-23-4 Molecular Formula: C7H5F3N2O3 Molecular Weight (g/mol): 222.12 MDL Number: MFCD00042326 InChI Key: YCGFVAPIBALHRT-UHFFFAOYSA-N Synonym: 2-nitro-4-trifluoromethoxy aniline,2-amino-5-trifluoromethoxy nitrobenzene,benzenamine, 2-nitro-4-trifluoromethoxy,1-amino-2-nitro-4-trifluoromethoxy benzene,2-nitro-4-trifluoromethoxy phenylamine,4-amino-3-nitro-alpha,alpha,alpha-trifluoroanisole,pubchem8514,acmc-1cnwp,ksc496g9b,2-nitro4-trifluoromethoxyaniline PubChem CID: 2775772 IUPAC Name: 2-nitro-4-(trifluoromethoxy)aniline SMILES: NC1=CC=C(OC(F)(F)F)C=C1[N+]([O-])=O

PubChem CID 2775772
CAS 2267-23-4
Molecular Weight (g/mol) 222.12
MDL Number MFCD00042326
SMILES NC1=CC=C(OC(F)(F)F)C=C1[N+]([O-])=O
Synonym 2-nitro-4-trifluoromethoxy aniline,2-amino-5-trifluoromethoxy nitrobenzene,benzenamine, 2-nitro-4-trifluoromethoxy,1-amino-2-nitro-4-trifluoromethoxy benzene,2-nitro-4-trifluoromethoxy phenylamine,4-amino-3-nitro-alpha,alpha,alpha-trifluoroanisole,pubchem8514,acmc-1cnwp,ksc496g9b,2-nitro4-trifluoromethoxyaniline
IUPAC Name 2-nitro-4-(trifluoromethoxy)aniline
InChI Key YCGFVAPIBALHRT-UHFFFAOYSA-N
Molecular Formula C7H5F3N2O3
13

2-Isopropylphenyl isothiocyanate, ≥95%, Thermo Scientific™

CAS: 36176-31-5 Molecular Formula: C10H11NS Molecular Weight (g/mol): 177.265 MDL Number: MFCD00022053 InChI Key: QQOOMDSEMQHMIR-UHFFFAOYSA-N Synonym: 2-isopropylphenyl isothiocyanate,1-isopropyl-2-isothiocyanatobenzene,1-isothiocyanato-2-propan-2-yl benzene,benzene, 1-isothiocyanato-2-1-methylethyl,2-methylethyl benzenisothiocyanate,2-isopropylphenylisothiocyanate,acmc-20ansf,2-isopropylphenyl-isothiocyanate,2-iso-propylphenyl isothiocyanate PubChem CID: 142052 IUPAC Name: 1-isothiocyanato-2-propan-2-ylbenzene SMILES: CC(C)C1=CC=CC=C1N=C=S

PubChem CID 142052
CAS 36176-31-5
Molecular Weight (g/mol) 177.265
MDL Number MFCD00022053
SMILES CC(C)C1=CC=CC=C1N=C=S
Synonym 2-isopropylphenyl isothiocyanate,1-isopropyl-2-isothiocyanatobenzene,1-isothiocyanato-2-propan-2-yl benzene,benzene, 1-isothiocyanato-2-1-methylethyl,2-methylethyl benzenisothiocyanate,2-isopropylphenylisothiocyanate,acmc-20ansf,2-isopropylphenyl-isothiocyanate,2-iso-propylphenyl isothiocyanate
IUPAC Name 1-isothiocyanato-2-propan-2-ylbenzene
InChI Key QQOOMDSEMQHMIR-UHFFFAOYSA-N
Molecular Formula C10H11NS