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.

5,086 – 5,100 of 73,813 results

5,086

4-Fluorophenylacetic acid, 98%

CAS: 405-50-5 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00004343 InChI Key: MGKPFALCNDRSQD-UHFFFAOYSA-N Synonym: 4-fluorophenylacetic acid,2-4-fluorophenyl acetic acid,p-fluorophenylacetic acid,4-fluorophenyl acetic acid,benzeneacetic acid, 4-fluoro,4-fluorobenzeneacetic acid,p-fluorophenyl acetic acid,acetic acid, p-fluorophenyl,unii-s5yjv7caz1,4-fluoro-phenyl-acetic acid PubChem CID: 9837 IUPAC Name: 2-(4-fluorophenyl)acetic acid SMILES: C1=CC(=CC=C1CC(=O)O)F

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Specifications

PubChem CID	9837
CAS	405-50-5
Molecular Weight (g/mol)	154.14
MDL Number	MFCD00004343
SMILES	C1=CC(=CC=C1CC(=O)O)F
Synonym	4-fluorophenylacetic acid,2-4-fluorophenyl acetic acid,p-fluorophenylacetic acid,4-fluorophenyl acetic acid,benzeneacetic acid, 4-fluoro,4-fluorobenzeneacetic acid,p-fluorophenyl acetic acid,acetic acid, p-fluorophenyl,unii-s5yjv7caz1,4-fluoro-phenyl-acetic acid
IUPAC Name	2-(4-fluorophenyl)acetic acid
InChI Key	MGKPFALCNDRSQD-UHFFFAOYSA-N
Molecular Formula	C8H7FO2

5,087

3-Chloro-4-fluoro-5-nitrobenzotrifluoride, 98%, Thermo Scientific Chemicals

CAS: 101646-02-0 Molecular Formula: C7H2ClF4NO2 Molecular Weight (g/mol): 243.54 MDL Number: MFCD00674108 InChI Key: JVOKKJHIEVEFEB-UHFFFAOYSA-N Synonym: 3-chloro-4-fluoro-5-nitrobenzotrifluoride,1-chloro-2-fluoro-3-nitro-5-trifluoromethyl benzene,3-chloro-2-fluoro-1-nitro-5-trifluoromethyl benzene,5-chloro-4-fluoro-3-nitrotrifluoromethylbenzene,5-chloro-4-fluoro-3-nitro-trifluoromethylbenzene PubChem CID: 2736565 IUPAC Name: 1-chloro-2-fluoro-3-nitro-5-(trifluoromethyl)benzene SMILES: [O-][N+](=O)C1=C(F)C(Cl)=CC(=C1)C(F)(F)F

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Specifications

PubChem CID	2736565
CAS	101646-02-0
Molecular Weight (g/mol)	243.54
MDL Number	MFCD00674108
SMILES	[O-][N+](=O)C1=C(F)C(Cl)=CC(=C1)C(F)(F)F
Synonym	3-chloro-4-fluoro-5-nitrobenzotrifluoride,1-chloro-2-fluoro-3-nitro-5-trifluoromethyl benzene,3-chloro-2-fluoro-1-nitro-5-trifluoromethyl benzene,5-chloro-4-fluoro-3-nitrotrifluoromethylbenzene,5-chloro-4-fluoro-3-nitro-trifluoromethylbenzene
IUPAC Name	1-chloro-2-fluoro-3-nitro-5-(trifluoromethyl)benzene
InChI Key	JVOKKJHIEVEFEB-UHFFFAOYSA-N
Molecular Formula	C7H2ClF4NO2

5,088

3-Amino-2-naphthoic acid, 97%

CAS: 5959-52-4 Molecular Formula: C11H9NO2 MDL Number: MFCD00004115 InChI Key: XFXOLBNQYFRSLQ-UHFFFAOYSA-N Synonym: 3-amino-2-naphthoic acid,2-amino-3-naphthoic acid,3-aminoisonaphthoic acid,2-naphthalenecarboxylic acid, 3-amino,2-amino-3-carboxynaphthalene,2-naphthoic acid, 3-amino,3-amino-2-naphthalenecarboxylic acid,unii-iv5z0phl5d,iv5z0phl5d,3-amino-naphthalene-2-carboxylic acid PubChem CID: 22244 IUPAC Name: 3-aminonaphthalene-2-carboxylic acid

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Specifications

PubChem CID	22244
CAS	5959-52-4
MDL Number	MFCD00004115
Synonym	3-amino-2-naphthoic acid,2-amino-3-naphthoic acid,3-aminoisonaphthoic acid,2-naphthalenecarboxylic acid, 3-amino,2-amino-3-carboxynaphthalene,2-naphthoic acid, 3-amino,3-amino-2-naphthalenecarboxylic acid,unii-iv5z0phl5d,iv5z0phl5d,3-amino-naphthalene-2-carboxylic acid
IUPAC Name	3-aminonaphthalene-2-carboxylic acid
InChI Key	XFXOLBNQYFRSLQ-UHFFFAOYSA-N
Molecular Formula	C11H9NO2

5,089

4,4'-Methylenebis(N,N-dimethylaniline), 98+%

CAS: 101-61-1 Molecular Formula: C17H22N2 Molecular Weight (g/mol): 254.377 MDL Number: MFCD00008317 InChI Key: JNRLEMMIVRBKJE-UHFFFAOYSA-N Synonym: 4,4'-methylenebis n,n-dimethylaniline,tetra-base,tetrabase,michler's base,methane base,methylene base,michler's hydride,michler's methane,4,4'-bis dimethylamino diphenylmethane,reduced michler's ketone PubChem CID: 7567 ChEBI: CHEBI:34370 IUPAC Name: 4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline SMILES: CN(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C)C

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Specifications

PubChem CID	7567
CAS	101-61-1
Molecular Weight (g/mol)	254.377
ChEBI	CHEBI:34370
MDL Number	MFCD00008317
SMILES	CN(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C)C
Synonym	4,4'-methylenebis n,n-dimethylaniline,tetra-base,tetrabase,michler's base,methane base,methylene base,michler's hydride,michler's methane,4,4'-bis dimethylamino diphenylmethane,reduced michler's ketone
IUPAC Name	4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
InChI Key	JNRLEMMIVRBKJE-UHFFFAOYSA-N
Molecular Formula	C17H22N2

5,090

3-Bromobenzophenone, 97%

CAS: 1016-77-9 Molecular Formula: C13H9BrO Molecular Weight (g/mol): 261.118 MDL Number: MFCD00672015 InChI Key: XNUMUNIJQMSNNN-UHFFFAOYSA-N Synonym: 3-bromobenzophenone,3-bromophenyl phenyl methanone,methanone, 3-bromophenyl phenyl,m-bromobenzophenone,3-bromophenyl phenylmethanone,3-bromophenyl-phenyl-methanone,3-bromophenyl phenyl ketone,bromobenzophenone,m,3-bromobenzoylbenzene,acmc-20an8e PubChem CID: 70548 IUPAC Name: (3-bromophenyl)-phenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)Br

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Specifications

PubChem CID	70548
CAS	1016-77-9
Molecular Weight (g/mol)	261.118
MDL Number	MFCD00672015
SMILES	C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)Br
Synonym	3-bromobenzophenone,3-bromophenyl phenyl methanone,methanone, 3-bromophenyl phenyl,m-bromobenzophenone,3-bromophenyl phenylmethanone,3-bromophenyl-phenyl-methanone,3-bromophenyl phenyl ketone,bromobenzophenone,m,3-bromobenzoylbenzene,acmc-20an8e
IUPAC Name	(3-bromophenyl)-phenylmethanone
InChI Key	XNUMUNIJQMSNNN-UHFFFAOYSA-N
Molecular Formula	C13H9BrO

5,091

N-(4-Vinylbenzyl)-N,N-dimethylamine, 90%, technical, stabilized

CAS: 2245-52-5 Molecular Formula: C11H16N Molecular Weight (g/mol): 162.26 MDL Number: MFCD00078270 InChI Key: XQBHAZDVLGNSOJ-UHFFFAOYSA-O Synonym: benzenemethanamine, 4-ethenyl-n,n-dimethyl,n,n-dimethyl-1-4-vinylphenyl methanamine,n-4-vinylbenzyl-n,n-dimethylamine,n,n-dimethyl-4'-vinylbenzylamine,4-vinylbenzyldimethylamine,p-dimethylaminomethylstyrene,4-n,n-dimethylaminomethyl styrene,4-n,n,-dimethylaminomethyl styrene,dimethyl 4-vinylphenyl methyl amine,benzenemethanamine,4-ethenyl-n,n-dimethyl PubChem CID: 519956 IUPAC Name: 1-(4-ethenylphenyl)-N,N-dimethylmethanamine SMILES: C[NH+](C)CC1=CC=C(C=C)C=C1

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Specifications

PubChem CID	519956
CAS	2245-52-5
Molecular Weight (g/mol)	162.26
MDL Number	MFCD00078270
SMILES	C[NH+](C)CC1=CC=C(C=C)C=C1
Synonym	benzenemethanamine, 4-ethenyl-n,n-dimethyl,n,n-dimethyl-1-4-vinylphenyl methanamine,n-4-vinylbenzyl-n,n-dimethylamine,n,n-dimethyl-4'-vinylbenzylamine,4-vinylbenzyldimethylamine,p-dimethylaminomethylstyrene,4-n,n-dimethylaminomethyl styrene,4-n,n,-dimethylaminomethyl styrene,dimethyl 4-vinylphenyl methyl amine,benzenemethanamine,4-ethenyl-n,n-dimethyl
IUPAC Name	1-(4-ethenylphenyl)-N,N-dimethylmethanamine
InChI Key	XQBHAZDVLGNSOJ-UHFFFAOYSA-O
Molecular Formula	C11H16N

5,092

2-Methylbenzylamine, 96%

CAS: 89-93-0 Molecular Formula: C₈H₁₁N Molecular Weight (g/mol): 121.18 MDL Number: MFCD00008112 InChI Key: CJAAPVQEZPAQNI-UHFFFAOYSA-N Synonym: 2-methylbenzylamine,o-tolylmethanamine,o-methylbenzylamine,benzenemethanamine, 2-methyl,o-xylylamine,benzylamine, o-methyl,2-methylphenyl methanamine,alpha-amino-o-xylene,alpha-amino-2-xylene,1-2-methylphenyl methanamine PubChem CID: 6993 IUPAC Name: (2-methylphenyl)methanamine SMILES: CC1=CC=CC=C1CN

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Specifications

PubChem CID	6993
CAS	89-93-0
Molecular Weight (g/mol)	121.18
MDL Number	MFCD00008112
SMILES	CC1=CC=CC=C1CN
Synonym	2-methylbenzylamine,o-tolylmethanamine,o-methylbenzylamine,benzenemethanamine, 2-methyl,o-xylylamine,benzylamine, o-methyl,2-methylphenyl methanamine,alpha-amino-o-xylene,alpha-amino-2-xylene,1-2-methylphenyl methanamine
IUPAC Name	(2-methylphenyl)methanamine
InChI Key	CJAAPVQEZPAQNI-UHFFFAOYSA-N
Molecular Formula	C₈H₁₁N

5,093

4-Butyl-2-methylaniline, Tech., Thermo Scientific™

CAS: 72072-16-3 Molecular Formula: C11H17N Molecular Weight (g/mol): 163.264 MDL Number: MFCD00190660 InChI Key: JTXOXRXZCAMPHL-UHFFFAOYSA-N PubChem CID: 577772 IUPAC Name: 4-butyl-2-methylaniline SMILES: CCCCC1=CC(=C(C=C1)N)C

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Specifications

PubChem CID	577772
CAS	72072-16-3
Molecular Weight (g/mol)	163.264
MDL Number	MFCD00190660
SMILES	CCCCC1=CC(=C(C=C1)N)C
IUPAC Name	4-butyl-2-methylaniline
InChI Key	JTXOXRXZCAMPHL-UHFFFAOYSA-N
Molecular Formula	C11H17N

5,094

p-Cresol, 99%

CAS: 106-44-5 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00002376 InChI Key: IWDCLRJOBJJRNH-UHFFFAOYSA-N Synonym: p-cresol,4-cresol,4-hydroxytoluene,p-methylphenol,phenol, 4-methyl,p-hydroxytoluene,p-tolyl alcohol,p-kresol,para-cresol,p-oxytoluene PubChem CID: 2879 ChEBI: CHEBI:17847 IUPAC Name: 4-methylphenol SMILES: CC1=CC=C(C=C1)O

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Specifications

PubChem CID	2879
CAS	106-44-5
Molecular Weight (g/mol)	108.14
ChEBI	CHEBI:17847
MDL Number	MFCD00002376
SMILES	CC1=CC=C(C=C1)O
Synonym	p-cresol,4-cresol,4-hydroxytoluene,p-methylphenol,phenol, 4-methyl,p-hydroxytoluene,p-tolyl alcohol,p-kresol,para-cresol,p-oxytoluene
IUPAC Name	4-methylphenol
InChI Key	IWDCLRJOBJJRNH-UHFFFAOYSA-N
Molecular Formula	C7H8O

5,095

4-Fluorobenzyl isocyanate, 98%

CAS: 132740-43-3 Molecular Formula: C8H6FNO Molecular Weight (g/mol): 151.14 MDL Number: MFCD00673062 InChI Key: HHSIWJYERNCLKQ-UHFFFAOYSA-N Synonym: 4-fluorobenzyl isocyanate,1-fluoro-4-isocyanatomethyl benzene,4-fluorobenzylisocyanate,4-fluorophenyl methanisocyanate,4-fluorobezylisocyanate,acmc-1c0to,intermediates-zcf02017,4-fluoro benzyl isocyanate,4-fluorophenyl methyl isocyanate PubChem CID: 2733376 IUPAC Name: 1-fluoro-4-(isocyanatomethyl)benzene SMILES: FC1=CC=C(CN=C=O)C=C1

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Specifications

PubChem CID	2733376
CAS	132740-43-3
Molecular Weight (g/mol)	151.14
MDL Number	MFCD00673062
SMILES	FC1=CC=C(CN=C=O)C=C1
Synonym	4-fluorobenzyl isocyanate,1-fluoro-4-isocyanatomethyl benzene,4-fluorobenzylisocyanate,4-fluorophenyl methanisocyanate,4-fluorobezylisocyanate,acmc-1c0to,intermediates-zcf02017,4-fluoro benzyl isocyanate,4-fluorophenyl methyl isocyanate
IUPAC Name	1-fluoro-4-(isocyanatomethyl)benzene
InChI Key	HHSIWJYERNCLKQ-UHFFFAOYSA-N
Molecular Formula	C8H6FNO

5,096

8-(Fmoc-amino)octanoic acid, 95%

CAS: 126631-93-4 Molecular Formula: C23H27NO4 Molecular Weight (g/mol): 381.472 MDL Number: MFCD00235890 InChI Key: QZQXRZXYWVQWAY-UHFFFAOYSA-N Synonym: n-fmoc-8-aminooctanoic acid,fmoc-8-aoc-oh,monascamine,monascorubramin,fmoc-8-aminocaprylic acid,unii-wq3ps53e2u,wq3ps53e2u,8-9h-fluoren-9-ylmethoxycarbonylamino octanoic acid,8-fmoc-amino-octanoic acid,8-9h-fluoren-9-yl methoxy carbonyl amino octanoic acid PubChem CID: 2756091 IUPAC Name: 8-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCCCCCC(=O)O

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Specifications

PubChem CID	2756091
CAS	126631-93-4
Molecular Weight (g/mol)	381.472
MDL Number	MFCD00235890
SMILES	C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCCCCCC(=O)O
Synonym	n-fmoc-8-aminooctanoic acid,fmoc-8-aoc-oh,monascamine,monascorubramin,fmoc-8-aminocaprylic acid,unii-wq3ps53e2u,wq3ps53e2u,8-9h-fluoren-9-ylmethoxycarbonylamino octanoic acid,8-fmoc-amino-octanoic acid,8-9h-fluoren-9-yl methoxy carbonyl amino octanoic acid
IUPAC Name	8-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid
InChI Key	QZQXRZXYWVQWAY-UHFFFAOYSA-N
Molecular Formula	C23H27NO4

5,097

2-Bromo-5-methoxybenzonitrile, 98%, Thermo Scientific Chemicals

CAS: 138642-47-4 Molecular Formula: C8H6BrNO Molecular Weight (g/mol): 212.046 MDL Number: MFCD01861260 InChI Key: ZQONVYONOASKIY-UHFFFAOYSA-N Synonym: benzonitrile,2-bromo-5-methoxy,2-bromo-5-methoxybenzenecarbonitrile,4-bromo-3-cyanoanisole,acmc-20ag98,2-bromo-5-methoxy benzonitrile,2-bromo-5-methoxybenzonitrile,2-bromanyl-5-methoxy-benzenecarbonitrile PubChem CID: 21784096 IUPAC Name: 2-bromo-5-methoxybenzonitrile SMILES: COC1=CC(=C(C=C1)Br)C#N

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Specifications

PubChem CID	21784096
CAS	138642-47-4
Molecular Weight (g/mol)	212.046
MDL Number	MFCD01861260
SMILES	COC1=CC(=C(C=C1)Br)C#N
Synonym	benzonitrile,2-bromo-5-methoxy,2-bromo-5-methoxybenzenecarbonitrile,4-bromo-3-cyanoanisole,acmc-20ag98,2-bromo-5-methoxy benzonitrile,2-bromo-5-methoxybenzonitrile,2-bromanyl-5-methoxy-benzenecarbonitrile
IUPAC Name	2-bromo-5-methoxybenzonitrile
InChI Key	ZQONVYONOASKIY-UHFFFAOYSA-N
Molecular Formula	C8H6BrNO

5,098

3-Sulfobenzoic acid monosodium salt, 97%

CAS: 17625-03-5 Molecular Formula: C7H5NaO5S Molecular Weight (g/mol): 224.162 MDL Number: MFCD00066378 InChI Key: KQHKITXZJDOIOD-UHFFFAOYSA-M PubChem CID: 23668512 IUPAC Name: sodium;3-sulfobenzoate SMILES: C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)[O-].[Na+]

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Specifications

PubChem CID	23668512
CAS	17625-03-5
Molecular Weight (g/mol)	224.162
MDL Number	MFCD00066378
SMILES	C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)[O-].[Na+]
IUPAC Name	sodium;3-sulfobenzoate
InChI Key	KQHKITXZJDOIOD-UHFFFAOYSA-M
Molecular Formula	C7H5NaO5S

5,099

4-tert-Butylphenylacetylene, 90+%

CAS: 772-38-3 Molecular Formula: C12H14 Molecular Weight (g/mol): 158.244 MDL Number: MFCD00190197 InChI Key: ZSYQVVKVKBVHIL-UHFFFAOYSA-N Synonym: 1-tert-butyl-4-ethynylbenzene,4-tert-butyl phenylacetylene,4-tert-butylphenylacetylene,benzene, 1-1,1-dimethylethyl-4-ethynyl,acmc-20amtx,4-t-butylphenylacetylene,4-tert-butylphenyl ethyne,4-tert.butylphenylacetylen,4-tert-butyl phenylethyne,4-tert-butylphenyl acetylene PubChem CID: 2757302 IUPAC Name: 1-tert-butyl-4-ethynylbenzene SMILES: CC(C)(C)C1=CC=C(C=C1)C#C

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Specifications

PubChem CID	2757302
CAS	772-38-3
Molecular Weight (g/mol)	158.244
MDL Number	MFCD00190197
SMILES	CC(C)(C)C1=CC=C(C=C1)C#C
Synonym	1-tert-butyl-4-ethynylbenzene,4-tert-butyl phenylacetylene,4-tert-butylphenylacetylene,benzene, 1-1,1-dimethylethyl-4-ethynyl,acmc-20amtx,4-t-butylphenylacetylene,4-tert-butylphenyl ethyne,4-tert.butylphenylacetylen,4-tert-butyl phenylethyne,4-tert-butylphenyl acetylene
IUPAC Name	1-tert-butyl-4-ethynylbenzene
InChI Key	ZSYQVVKVKBVHIL-UHFFFAOYSA-N
Molecular Formula	C12H14

5,100

Chlorohydroquinone, 90%, Tech.

CAS: 615-67-8 Molecular Formula: C₆H₅ClO₂ Molecular Weight (g/mol): 144.56 MDL Number: MFCD00002341 InChI Key: AJPXTSMULZANCB-UHFFFAOYSA-N Synonym: chlorohydroquinone,2-chlorohydroquinone,monochlorohydroquinone,chloroquinol,1,4-benzenediol, 2-chloro,2-chloro-1,4-benzenediol,hydroquinone, chloro,2-chloro-1,4-dihydroxybenzene,2,5-dihydroxychlorobenzene,1,4-dihydroxy-2-chlorobenzene PubChem CID: 301 ChEBI: CHEBI:27675 IUPAC Name: 2-chlorobenzene-1,4-diol SMILES: C1=CC(=C(C=C1O)Cl)O

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Specifications

PubChem CID	301
CAS	615-67-8
Molecular Weight (g/mol)	144.56
ChEBI	CHEBI:27675
MDL Number	MFCD00002341
SMILES	C1=CC(=C(C=C1O)Cl)O
Synonym	chlorohydroquinone,2-chlorohydroquinone,monochlorohydroquinone,chloroquinol,1,4-benzenediol, 2-chloro,2-chloro-1,4-benzenediol,hydroquinone, chloro,2-chloro-1,4-dihydroxybenzene,2,5-dihydroxychlorobenzene,1,4-dihydroxy-2-chlorobenzene
IUPAC Name	2-chlorobenzene-1,4-diol
InChI Key	AJPXTSMULZANCB-UHFFFAOYSA-N
Molecular Formula	C₆H₅ClO₂

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