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.

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8,896 – 8,910 of 78,418 results

8,896

1-Butoxy-4-nitrobenzene 99.0+%, TCI America™

CAS: 7244-78-2 Molecular Formula: C10H13NO3 Molecular Weight (g/mol): 195.22 MDL Number: MFCD00024688 InChI Key: XCCDVVZINDJESR-UHFFFAOYSA-N Synonym: Butyl 4-Nitrophenyl Ether PubChem CID: 81658 IUPAC Name: 1-butoxy-4-nitrobenzene SMILES: CCCCOC1=CC=C(C=C1)[N+]([O-])=O

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Specifications

PubChem CID	81658
CAS	7244-78-2
Molecular Weight (g/mol)	195.22
MDL Number	MFCD00024688
SMILES	CCCCOC1=CC=C(C=C1)[N+]([O-])=O
Synonym	Butyl 4-Nitrophenyl Ether
IUPAC Name	1-butoxy-4-nitrobenzene
InChI Key	XCCDVVZINDJESR-UHFFFAOYSA-N
Molecular Formula	C10H13NO3

8,897

(S)-Glycidyl 4-Nitrobenzenesulfonate 98.0+%, TCI America™

CAS: 118712-60-0 Molecular Formula: C9H9NO6S Molecular Weight (g/mol): 259.232 MDL Number: MFCD08460170 InChI Key: CXYDYDCHYJXOEY-QMMMGPOBSA-N Synonym: 4-Nitrobenzenesulfonic Acid (S)-Glycidyl Ester PubChem CID: 10868995 IUPAC Name: [(2S)-oxiran-2-yl]methyl 4-nitrobenzenesulfonate SMILES: C1C(O1)COS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

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Specifications

PubChem CID	10868995
CAS	118712-60-0
Molecular Weight (g/mol)	259.232
MDL Number	MFCD08460170
SMILES	C1C(O1)COS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Synonym	4-Nitrobenzenesulfonic Acid (S)-Glycidyl Ester
IUPAC Name	[(2S)-oxiran-2-yl]methyl 4-nitrobenzenesulfonate
InChI Key	CXYDYDCHYJXOEY-QMMMGPOBSA-N
Molecular Formula	C9H9NO6S

8,898

Violanthrone 79 95.0+%, TCI America™

CAS: 85652-50-2 Molecular Formula: C50H48O4 Molecular Weight (g/mol): 712.93 MDL Number: MFCD00491570 InChI Key: LLPQZABTDLOYAL-UHFFFAOYSA-N Synonym: violanthrone-79,violanthrone 79,anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,16,17-bis octyloxy,anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,1,16,17-bis n-octyloxy anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,16,17-bis octyloxy-anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,16,17-bis octyloxy anthra 9,1,2-cde-benzo rst pentaphene-5,10-dione,16,17-bis octyloxy anthra 9,1,2-cde benzo rst pentaphene-5,10-dione PubChem CID: 16217791 SMILES: CCCCCCCCOC1=C2C3=C(C=CC4=C3C(=C1)C5=CC=CC=C5C4=O)C6=C7C2=C(C=C8C7=C(C=C6)C(=O)C9=CC=CC=C98)OCCCCCCCC

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Specifications

PubChem CID	16217791
CAS	85652-50-2
Molecular Weight (g/mol)	712.93
MDL Number	MFCD00491570
SMILES	CCCCCCCCOC1=C2C3=C(C=CC4=C3C(=C1)C5=CC=CC=C5C4=O)C6=C7C2=C(C=C8C7=C(C=C6)C(=O)C9=CC=CC=C98)OCCCCCCCC
Synonym	violanthrone-79,violanthrone 79,anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,16,17-bis octyloxy,anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,1,16,17-bis n-octyloxy anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,16,17-bis octyloxy-anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,16,17-bis octyloxy anthra 9,1,2-cde-benzo rst pentaphene-5,10-dione,16,17-bis octyloxy anthra 9,1,2-cde benzo rst pentaphene-5,10-dione
InChI Key	LLPQZABTDLOYAL-UHFFFAOYSA-N
Molecular Formula	C50H48O4

8,899

Methyl 4-Aminosalicylate 98.0+%, TCI America™

CAS: 4136-97-4 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD00088091 InChI Key: QQOXBFUTRLDXDP-UHFFFAOYSA-N Synonym: methyl 4-aminosalicylate,methyl p-aminosalicylate,pas methyl ester,p-aminosalicylic acid methyl ester,methyl 4-amino-2-hydroxybenzenecarboxylate,benzoic acid, 4-amino-2-hydroxy-, methyl ester,methyl 4-amino-2-hydroxy-benzoate,salicylic acid, amino-, methyl ester,4-aminosalicylic acid methyl ester,4-amino-2-hydroxy-benzoic acid methyl ester PubChem CID: 77787 ChEBI: CHEBI:35089 IUPAC Name: methyl 4-amino-2-hydroxybenzoate SMILES: COC(=O)C1=C(C=C(C=C1)N)O

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Specifications

PubChem CID	77787
CAS	4136-97-4
Molecular Weight (g/mol)	167.164
ChEBI	CHEBI:35089
MDL Number	MFCD00088091
SMILES	COC(=O)C1=C(C=C(C=C1)N)O
Synonym	methyl 4-aminosalicylate,methyl p-aminosalicylate,pas methyl ester,p-aminosalicylic acid methyl ester,methyl 4-amino-2-hydroxybenzenecarboxylate,benzoic acid, 4-amino-2-hydroxy-, methyl ester,methyl 4-amino-2-hydroxy-benzoate,salicylic acid, amino-, methyl ester,4-aminosalicylic acid methyl ester,4-amino-2-hydroxy-benzoic acid methyl ester
IUPAC Name	methyl 4-amino-2-hydroxybenzoate
InChI Key	QQOXBFUTRLDXDP-UHFFFAOYSA-N
Molecular Formula	C8H9NO3

8,900

5-Methoxy-2-nitroaniline 98.0+%, TCI America™

CAS: 16133-49-6 Molecular Formula: C7H8N2O3 Molecular Weight (g/mol): 168.152 MDL Number: MFCD00179573 InChI Key: QEHVRGACCVLLNN-UHFFFAOYSA-N Synonym: 5-methoxy-2-nitrophenylamine,3-amino-4-nitroanisole,5methoxy-2-nitroaniline,5-methoxy-2-nitrobenzenamine,3-amino-4-nitro-anisol,2-nitro-5-methoxyaniline,5-methoxy-2-nitro-aniline,benzenamine, 5-methoxy-2-nitro,benzenamine,5-methoxy-2-nitro,5-methoxy-2-nitro-phenylamine PubChem CID: 85300 IUPAC Name: 5-methoxy-2-nitroaniline SMILES: COC1=CC(=C(C=C1)[N+](=O)[O-])N

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Specifications

PubChem CID	85300
CAS	16133-49-6
Molecular Weight (g/mol)	168.152
MDL Number	MFCD00179573
SMILES	COC1=CC(=C(C=C1)[N+](=O)[O-])N
Synonym	5-methoxy-2-nitrophenylamine,3-amino-4-nitroanisole,5methoxy-2-nitroaniline,5-methoxy-2-nitrobenzenamine,3-amino-4-nitro-anisol,2-nitro-5-methoxyaniline,5-methoxy-2-nitro-aniline,benzenamine, 5-methoxy-2-nitro,benzenamine,5-methoxy-2-nitro,5-methoxy-2-nitro-phenylamine
IUPAC Name	5-methoxy-2-nitroaniline
InChI Key	QEHVRGACCVLLNN-UHFFFAOYSA-N
Molecular Formula	C7H8N2O3

8,901

2-(Trifluoromethyl)benzyl Alcohol 98.0+%, TCI America™

CAS: 346-06-5 Molecular Formula: C8H7F3O Molecular Weight (g/mol): 176.14 MDL Number: MFCD00004621 InChI Key: TWQNSHZTQSLJEE-UHFFFAOYSA-N Synonym: 2-trifluoromethyl benzyl alcohol,2-trifluoromethyl phenyl methanol,o-trifluoromethylbenzyl alcohol,2-trifluoromethyl benzylalcohol,2-trifluoromethylbenzyl alcohol,o-trifluoromethyl benzyl alcohol,2-trifluoromethyl benzylic alcohol,benzenemethanol, 2-trifluoromethyl,2-trifluoromethyl phenyl methan-1-ol PubChem CID: 67666 IUPAC Name: [2-(trifluoromethyl)phenyl]methanol SMILES: OCC1=CC=CC=C1C(F)(F)F

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Specifications

PubChem CID	67666
CAS	346-06-5
Molecular Weight (g/mol)	176.14
MDL Number	MFCD00004621
SMILES	OCC1=CC=CC=C1C(F)(F)F
Synonym	2-trifluoromethyl benzyl alcohol,2-trifluoromethyl phenyl methanol,o-trifluoromethylbenzyl alcohol,2-trifluoromethyl benzylalcohol,2-trifluoromethylbenzyl alcohol,o-trifluoromethyl benzyl alcohol,2-trifluoromethyl benzylic alcohol,benzenemethanol, 2-trifluoromethyl,2-trifluoromethyl phenyl methan-1-ol
IUPAC Name	[2-(trifluoromethyl)phenyl]methanol
InChI Key	TWQNSHZTQSLJEE-UHFFFAOYSA-N
Molecular Formula	C8H7F3O

8,902

Triphenylborane - Triphenylphosphine Complex 97.0+%, TCI America™

CAS: 3053-68-7 Molecular Formula: C36H30BP Molecular Weight (g/mol): 504.42 MDL Number: MFCD01631317 InChI Key: QLAGHGSFXJZWKY-UHFFFAOYSA-N PubChem CID: 11081676 IUPAC Name: triphenylborane;triphenylphosphane SMILES: B(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3

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Specifications

PubChem CID	11081676
CAS	3053-68-7
Molecular Weight (g/mol)	504.42
MDL Number	MFCD01631317
SMILES	B(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3
IUPAC Name	triphenylborane;triphenylphosphane
InChI Key	QLAGHGSFXJZWKY-UHFFFAOYSA-N
Molecular Formula	C36H30BP

8,903

2,4-Dimethoxyaniline 98.0+%, TCI America™

CAS: 2735-04-8 Molecular Formula: C8H11NO2 Molecular Weight (g/mol): 153.18 MDL Number: MFCD00008371 InChI Key: GEQNZVKIDIPGCO-UHFFFAOYSA-N Synonym: benzenamine, 2,4-dimethoxy,aniline, 2,4-dimethoxy,2,4-dimethoxyphenylamine,unii-i079354gsi,benzenamine, 2,4-dimethoxy-, hydrochloride,2,4-domethoxyaniline,2,4-dimethoxy-anilin,2, 4-dimethoxyaniline,2,4 dimethoxy aniline,2,4-dimethoxy aniline PubChem CID: 17652 IUPAC Name: 2,4-dimethoxyaniline SMILES: COC1=CC(=C(C=C1)N)OC

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Specifications

PubChem CID	17652
CAS	2735-04-8
Molecular Weight (g/mol)	153.18
MDL Number	MFCD00008371
SMILES	COC1=CC(=C(C=C1)N)OC
Synonym	benzenamine, 2,4-dimethoxy,aniline, 2,4-dimethoxy,2,4-dimethoxyphenylamine,unii-i079354gsi,benzenamine, 2,4-dimethoxy-, hydrochloride,2,4-domethoxyaniline,2,4-dimethoxy-anilin,2, 4-dimethoxyaniline,2,4 dimethoxy aniline,2,4-dimethoxy aniline
IUPAC Name	2,4-dimethoxyaniline
InChI Key	GEQNZVKIDIPGCO-UHFFFAOYSA-N
Molecular Formula	C8H11NO2

8,904

3,5-Difluorobenzonitrile 99.0+%, TCI America™

CAS: 64248-63-1 Molecular Formula: C7H3F2N Molecular Weight (g/mol): 139.11 MDL Number: MFCD00010311 InChI Key: CQXZSEXZQVKCHW-UHFFFAOYSA-N Synonym: benzonitrile, 3,5-difluoro,5-cyano-1,3-difluorobenzene,3,5-difluoro benzonitrile,3,5-difluoro-benzonitrile,3,5-difluorobenzenecarbonitrile,pubchem4761,3.5-difluorobenzonitrile,acmc-1bc3f,ksc355k7h,paragos 390210 PubChem CID: 587204 IUPAC Name: 3,5-difluorobenzonitrile SMILES: FC1=CC(=CC(F)=C1)C#N

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Specifications

PubChem CID	587204
CAS	64248-63-1
Molecular Weight (g/mol)	139.11
MDL Number	MFCD00010311
SMILES	FC1=CC(=CC(F)=C1)C#N
Synonym	benzonitrile, 3,5-difluoro,5-cyano-1,3-difluorobenzene,3,5-difluoro benzonitrile,3,5-difluoro-benzonitrile,3,5-difluorobenzenecarbonitrile,pubchem4761,3.5-difluorobenzonitrile,acmc-1bc3f,ksc355k7h,paragos 390210
IUPAC Name	3,5-difluorobenzonitrile
InChI Key	CQXZSEXZQVKCHW-UHFFFAOYSA-N
Molecular Formula	C7H3F2N

8,905

4-Acetamidobenzenesulfonyl Azide 98.0+%, TCI America™

CAS: 2158-14-7 Molecular Formula: C8H8N4O3S Molecular Weight (g/mol): 240.24 MDL Number: MFCD00029626 InChI Key: NTMHWRHEGDRTPD-UHFFFAOYSA-N Synonym: 4-acetamidobenzenesulfonyl azide,p-absa,n-4-azidosulfonylphenyl acetamide,4-acetamidobenzenesulfonylazide,4-acetamidobenzenesulphonyl azide,4-acetamidobenzene sulfonyl azide,4-acetamidobenzene-1-sulfonyl azide,acmc-1chyo,ksc491c8r,p-acetamidobenzensulfonyl azide PubChem CID: 5129185 IUPAC Name: 4-acetamidobenzene-1-sulfonyl azide SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N=[N+]=[N-]

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Specifications

PubChem CID	5129185
CAS	2158-14-7
Molecular Weight (g/mol)	240.24
MDL Number	MFCD00029626
SMILES	CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N=[N+]=[N-]
Synonym	4-acetamidobenzenesulfonyl azide,p-absa,n-4-azidosulfonylphenyl acetamide,4-acetamidobenzenesulfonylazide,4-acetamidobenzenesulphonyl azide,4-acetamidobenzene sulfonyl azide,4-acetamidobenzene-1-sulfonyl azide,acmc-1chyo,ksc491c8r,p-acetamidobenzensulfonyl azide
IUPAC Name	4-acetamidobenzene-1-sulfonyl azide
InChI Key	NTMHWRHEGDRTPD-UHFFFAOYSA-N
Molecular Formula	C8H8N4O3S

8,906

Triethyl Orthobenzoate 97.0+%, TCI America™

CAS: 1663-61-2 Molecular Formula: C13H20O3 Molecular Weight (g/mol): 224.3 MDL Number: MFCD00009222 InChI Key: BQFPCTXLBRVFJL-UHFFFAOYSA-N Synonym: triethoxymethyl benzene,triethyl orthobenzoate,ethyl orthobenzoate,benzene, triethoxymethyl,triethylorthobenzoate,orthobenzoic acid, triethyl ester,orthobenzoic acid triethyl ester,triethoxymethyl benzol,triethoxyphenylmethane PubChem CID: 74268 IUPAC Name: triethoxymethylbenzene SMILES: CCOC(C1=CC=CC=C1)(OCC)OCC

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Specifications

PubChem CID	74268
CAS	1663-61-2
Molecular Weight (g/mol)	224.3
MDL Number	MFCD00009222
SMILES	CCOC(C1=CC=CC=C1)(OCC)OCC
Synonym	triethoxymethyl benzene,triethyl orthobenzoate,ethyl orthobenzoate,benzene, triethoxymethyl,triethylorthobenzoate,orthobenzoic acid, triethyl ester,orthobenzoic acid triethyl ester,triethoxymethyl benzol,triethoxyphenylmethane
IUPAC Name	triethoxymethylbenzene
InChI Key	BQFPCTXLBRVFJL-UHFFFAOYSA-N
Molecular Formula	C13H20O3

8,907

2-Chlorobenzophenone 98.0+%, TCI America™

CAS: 3-8-5162 Molecular Formula: C13H9ClO Molecular Weight (g/mol): 216.66 MDL Number: MFCD00000558 InChI Key: VMHYWKBKHMYRNF-UHFFFAOYSA-N Synonym: 2-chlorobenzophenone,2-chlorophenyl phenyl methanone,methanone, 2-chlorophenyl phenyl,o-chlorobenzophenone,2-chlorophenyl phenylmethanone,benzophenone, 2-chloro,2-chlorophenyl-phenylmethanone,2-chlorobenyl phenyl ketone,2-chloro-phenyl-phenyl-methanone,benzophenone, 2-chloro-6ci,7ci,8ci PubChem CID: 78838 IUPAC Name: (2-chlorophenyl)-phenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2Cl

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Specifications

PubChem CID	78838
CAS	3-8-5162
Molecular Weight (g/mol)	216.66
MDL Number	MFCD00000558
SMILES	C1=CC=C(C=C1)C(=O)C2=CC=CC=C2Cl
Synonym	2-chlorobenzophenone,2-chlorophenyl phenyl methanone,methanone, 2-chlorophenyl phenyl,o-chlorobenzophenone,2-chlorophenyl phenylmethanone,benzophenone, 2-chloro,2-chlorophenyl-phenylmethanone,2-chlorobenyl phenyl ketone,2-chloro-phenyl-phenyl-methanone,benzophenone, 2-chloro-6ci,7ci,8ci
IUPAC Name	(2-chlorophenyl)-phenylmethanone
InChI Key	VMHYWKBKHMYRNF-UHFFFAOYSA-N
Molecular Formula	C13H9ClO

8,908

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

CAS: 6280-88-2 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.56 MDL Number: MFCD00007214 InChI Key: JAHIPDTWWVYVRV-UHFFFAOYSA-N Synonym: 4-chloro-2-nitrobenzoic acid,2-nitro-4-chlorobenzoic acid,4-chloro-2-nitrobenzoicacid,benzoic acid, 4-chloro-2-nitro,4-chloro-2-nitro-benzoic acid,acmc-1b6vn,ksc353a2d,2-carboxy-5-chloronitrobenzene,benzoicacid, 4-chloro-2-nitro,2-nitro-4-chlorobenzoic acid anion PubChem CID: 80475 IUPAC Name: 4-chloro-2-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(Cl)C=C1[N+]([O-])=O

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Specifications

PubChem CID	80475
CAS	6280-88-2
Molecular Weight (g/mol)	201.56
MDL Number	MFCD00007214
SMILES	OC(=O)C1=CC=C(Cl)C=C1[N+]([O-])=O
Synonym	4-chloro-2-nitrobenzoic acid,2-nitro-4-chlorobenzoic acid,4-chloro-2-nitrobenzoicacid,benzoic acid, 4-chloro-2-nitro,4-chloro-2-nitro-benzoic acid,acmc-1b6vn,ksc353a2d,2-carboxy-5-chloronitrobenzene,benzoicacid, 4-chloro-2-nitro,2-nitro-4-chlorobenzoic acid anion
IUPAC Name	4-chloro-2-nitrobenzoic acid
InChI Key	JAHIPDTWWVYVRV-UHFFFAOYSA-N
Molecular Formula	C7H4ClNO4

8,909

4-Chlorobenzenesulfonamide 98.0+%, TCI America™

CAS: 98-64-6 Molecular Formula: C6H6ClNO2S Molecular Weight (g/mol): 191.63 MDL Number: MFCD00007936 InChI Key: HHHDJHHNEURCNV-UHFFFAOYSA-N Synonym: p-chlorobenzenesulfonamide,benzenesulfonamide, 4-chloro,p-chlorobenzenesulfamide,4-chlorophenylsulfonamide,p-chlorophenylsulfonamide,4-chlorobenzenesulphonamide,benzenesulfonamide, p-chloro,usaf ma-3,4-chlorobenzene-1-sulfonamide,4-chloro-benzenesulfonamide PubChem CID: 66824 IUPAC Name: 4-chlorobenzene-1-sulfonamide SMILES: NS(=O)(=O)C1=CC=C(Cl)C=C1

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Specifications

PubChem CID	66824
CAS	98-64-6
Molecular Weight (g/mol)	191.63
MDL Number	MFCD00007936
SMILES	NS(=O)(=O)C1=CC=C(Cl)C=C1
Synonym	p-chlorobenzenesulfonamide,benzenesulfonamide, 4-chloro,p-chlorobenzenesulfamide,4-chlorophenylsulfonamide,p-chlorophenylsulfonamide,4-chlorobenzenesulphonamide,benzenesulfonamide, p-chloro,usaf ma-3,4-chlorobenzene-1-sulfonamide,4-chloro-benzenesulfonamide
IUPAC Name	4-chlorobenzene-1-sulfonamide
InChI Key	HHHDJHHNEURCNV-UHFFFAOYSA-N
Molecular Formula	C6H6ClNO2S

8,910

Diallyl Isophthalate 98.0+%, TCI America™

CAS: 1087-21-4 Molecular Formula: C14H14O4 Molecular Weight (g/mol): 246.262 MDL Number: MFCD00048174 InChI Key: OOORLLSLMPBSPT-UHFFFAOYSA-N Synonym: Isophthalic Acid Diallyl Ester PubChem CID: 66183 IUPAC Name: bis(prop-2-enyl) benzene-1,3-dicarboxylate SMILES: C=CCOC(=O)C1=CC(=CC=C1)C(=O)OCC=C

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Specifications

PubChem CID	66183
CAS	1087-21-4
Molecular Weight (g/mol)	246.262
MDL Number	MFCD00048174
SMILES	C=CCOC(=O)C1=CC(=CC=C1)C(=O)OCC=C
Synonym	Isophthalic Acid Diallyl Ester
IUPAC Name	bis(prop-2-enyl) benzene-1,3-dicarboxylate
InChI Key	OOORLLSLMPBSPT-UHFFFAOYSA-N
Molecular Formula	C14H14O4

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