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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9,376 – 9,390 of 78,418 results

9,376

2-Chloro-4-fluoro-5-nitrotoluene 98.0+%, TCI America™

CAS: 112108-73-3 Molecular Formula: C7H5ClFNO2 Molecular Weight (g/mol): 189.57 MDL Number: MFCD11110549 InChI Key: YXVJHZWHPLOEAP-UHFFFAOYSA-N Synonym: 2-chloro-4-fluoro-5-nitrotoluene,1-chloro-5-fluoro-2-methyl-4-nitro-benzene,benzene, 1-chloro-5-fluoro-2-methyl-4-nitro,acmc-2099cn,ksc682i1p,2-chloro-4fluoro-5-nitrotoluene,1-chloranyl-5-fluoranyl-2-methyl-4-nitro-benzene PubChem CID: 10103979 IUPAC Name: 1-chloro-5-fluoro-2-methyl-4-nitrobenzene SMILES: CC1=CC(=C(C=C1Cl)F)[N+](=O)[O-]

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Specifications

PubChem CID	10103979
CAS	112108-73-3
Molecular Weight (g/mol)	189.57
MDL Number	MFCD11110549
SMILES	CC1=CC(=C(C=C1Cl)F)[N+](=O)[O-]
Synonym	2-chloro-4-fluoro-5-nitrotoluene,1-chloro-5-fluoro-2-methyl-4-nitro-benzene,benzene, 1-chloro-5-fluoro-2-methyl-4-nitro,acmc-2099cn,ksc682i1p,2-chloro-4fluoro-5-nitrotoluene,1-chloranyl-5-fluoranyl-2-methyl-4-nitro-benzene
IUPAC Name	1-chloro-5-fluoro-2-methyl-4-nitrobenzene
InChI Key	YXVJHZWHPLOEAP-UHFFFAOYSA-N
Molecular Formula	C7H5ClFNO2

9,377

2,5-Difluoro-4-nitrotoluene 98.0+%, TCI America™

CAS: 141412-60-4 Molecular Formula: C7H5F2NO2 Molecular Weight (g/mol): 173.12 MDL Number: MFCD06200905 InChI Key: ABWWQMGGJXKGBL-UHFFFAOYSA-N Synonym: 2,5-difluoro-4-nitrotoluene,2,5-difluoro-4-methylnitrobenzene,2,5-difluoro-4-methyl nitrobenzene,benzene, 1,4-difluoro-2-methyl-5-nitro,2,5-difluoro-1-methyl-4-nitrobenzene,1,4-difluoro-2-methyl-5-nitro-benzene,pubchem2555,difluoromethylnitrobenzene,ksc495e0j,acmc-1c025 PubChem CID: 230658 IUPAC Name: 1,4-difluoro-2-methyl-5-nitrobenzene SMILES: CC1=CC(F)=C(C=C1F)[N+]([O-])=O

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Specifications

PubChem CID	230658
CAS	141412-60-4
Molecular Weight (g/mol)	173.12
MDL Number	MFCD06200905
SMILES	CC1=CC(F)=C(C=C1F)[N+]([O-])=O
Synonym	2,5-difluoro-4-nitrotoluene,2,5-difluoro-4-methylnitrobenzene,2,5-difluoro-4-methyl nitrobenzene,benzene, 1,4-difluoro-2-methyl-5-nitro,2,5-difluoro-1-methyl-4-nitrobenzene,1,4-difluoro-2-methyl-5-nitro-benzene,pubchem2555,difluoromethylnitrobenzene,ksc495e0j,acmc-1c025
IUPAC Name	1,4-difluoro-2-methyl-5-nitrobenzene
InChI Key	ABWWQMGGJXKGBL-UHFFFAOYSA-N
Molecular Formula	C7H5F2NO2

9,378

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

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Specifications

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

9,379

2-Bromo-5-nitrotoluene 98.0+%, TCI America™

CAS: 7149-70-4 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.034 MDL Number: MFCD00007281 InChI Key: HIMGPQVBNICCGL-UHFFFAOYSA-N Synonym: 2-bromo-5-nitrotoluene,4-bromo-3-methylnitrobenzene,benzene, 1-bromo-2-methyl-4-nitro,bromo 5--2-nitrotoluene,2bromo-5-nitrotoluene,pubchem12553,acmc-209oiv,toluene, 2-bromo-5-nitro,ksc498a8d,methyl 2-bromo-5-nitrobenzene PubChem CID: 251672 IUPAC Name: 1-bromo-2-methyl-4-nitrobenzene SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])Br

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Specifications

PubChem CID	251672
CAS	7149-70-4
Molecular Weight (g/mol)	216.034
MDL Number	MFCD00007281
SMILES	CC1=C(C=CC(=C1)[N+](=O)[O-])Br
Synonym	2-bromo-5-nitrotoluene,4-bromo-3-methylnitrobenzene,benzene, 1-bromo-2-methyl-4-nitro,bromo 5--2-nitrotoluene,2bromo-5-nitrotoluene,pubchem12553,acmc-209oiv,toluene, 2-bromo-5-nitro,ksc498a8d,methyl 2-bromo-5-nitrobenzene
IUPAC Name	1-bromo-2-methyl-4-nitrobenzene
InChI Key	HIMGPQVBNICCGL-UHFFFAOYSA-N
Molecular Formula	C7H6BrNO2

9,380

4-Fluoro-2-nitrotoluene 96.0+%, TCI America™

CAS: 446-10-6 Molecular Formula: C7H6FNO2 Molecular Weight (g/mol): 155.128 MDL Number: MFCD00007200 InChI Key: SKWTUNAAJNDEIK-UHFFFAOYSA-N Synonym: 4-fluoro-2-nitrotoluene,2-nitro-4-fluorotoluene,benzene, 4-fluoro-1-methyl-2-nitro,toluene, 4-fluoro-2-nitro,4-fluoro-2-nitrobenzene,5-fluoro-2-methylnitrobenzene,4-fluoro-2-nitro toluene,4-fluoro-1-methyl-2-nitro-benzene,4-fluoronitrotoluene,zlchem 482 PubChem CID: 67965 IUPAC Name: 4-fluoro-1-methyl-2-nitrobenzene SMILES: CC1=C(C=C(C=C1)F)[N+](=O)[O-]

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Specifications

PubChem CID	67965
CAS	446-10-6
Molecular Weight (g/mol)	155.128
MDL Number	MFCD00007200
SMILES	CC1=C(C=C(C=C1)F)[N+](=O)[O-]
Synonym	4-fluoro-2-nitrotoluene,2-nitro-4-fluorotoluene,benzene, 4-fluoro-1-methyl-2-nitro,toluene, 4-fluoro-2-nitro,4-fluoro-2-nitrobenzene,5-fluoro-2-methylnitrobenzene,4-fluoro-2-nitro toluene,4-fluoro-1-methyl-2-nitro-benzene,4-fluoronitrotoluene,zlchem 482
IUPAC Name	4-fluoro-1-methyl-2-nitrobenzene
InChI Key	SKWTUNAAJNDEIK-UHFFFAOYSA-N
Molecular Formula	C7H6FNO2

9,381

2-Nitrotoluene 99.0+%, TCI America™

CAS: 88-72-2 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.138 MDL Number: MFCD00007157 InChI Key: PLAZTCDQAHEYBI-UHFFFAOYSA-N Synonym: 2-nitrotoluene,o-nitrotoluene,o-nitrotoluol,o-methylnitrobenzene,benzene, 1-methyl-2-nitro,toluene, o-nitro,2-methyl-1-nitrobenzene,2-nitrotoluol,ortho-nitrotoluol,2-methylnitrobenzene PubChem CID: 6944 ChEBI: CHEBI:33098 IUPAC Name: 1-methyl-2-nitrobenzene SMILES: CC1=CC=CC=C1[N+](=O)[O-]

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Specifications

PubChem CID	6944
CAS	88-72-2
Molecular Weight (g/mol)	137.138
ChEBI	CHEBI:33098
MDL Number	MFCD00007157
SMILES	CC1=CC=CC=C1[N+](=O)[O-]
Synonym	2-nitrotoluene,o-nitrotoluene,o-nitrotoluol,o-methylnitrobenzene,benzene, 1-methyl-2-nitro,toluene, o-nitro,2-methyl-1-nitrobenzene,2-nitrotoluol,ortho-nitrotoluol,2-methylnitrobenzene
IUPAC Name	1-methyl-2-nitrobenzene
InChI Key	PLAZTCDQAHEYBI-UHFFFAOYSA-N
Molecular Formula	C7H7NO2

9,382

5-Chloro-2-nitrotoluene 97.0+%, TCI America™

CAS: 5367-28-2 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00024579 InChI Key: NSMZCUAVEOTJDS-UHFFFAOYSA-N Synonym: 5-chloro-2-nitrotoluene,toluene, 5-chloro-2-nitro,3-chloro-6-nitrotoluene,benzene, 4-chloro-2-methyl-1-nitro,2-nitro-5-chlorotoluene,benzene, 1-chloro-3-methyl-4-nitro-9ci,4-chloro-2-methyl-1-nitro-benzene,acmc-1am5r,5-chloro-2-nitro-toluene,ksc494a7d PubChem CID: 79329 IUPAC Name: 4-chloro-2-methyl-1-nitrobenzene SMILES: CC1=C(C=CC(=C1)Cl)[N+](=O)[O-]

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Specifications

PubChem CID	79329
CAS	5367-28-2
Molecular Weight (g/mol)	171.58
MDL Number	MFCD00024579
SMILES	CC1=C(C=CC(=C1)Cl)[N+](=O)[O-]
Synonym	5-chloro-2-nitrotoluene,toluene, 5-chloro-2-nitro,3-chloro-6-nitrotoluene,benzene, 4-chloro-2-methyl-1-nitro,2-nitro-5-chlorotoluene,benzene, 1-chloro-3-methyl-4-nitro-9ci,4-chloro-2-methyl-1-nitro-benzene,acmc-1am5r,5-chloro-2-nitro-toluene,ksc494a7d
IUPAC Name	4-chloro-2-methyl-1-nitrobenzene
InChI Key	NSMZCUAVEOTJDS-UHFFFAOYSA-N
Molecular Formula	C7H6ClNO2

9,383

3-Chloro-4-nitrotoluene 98.0+%, TCI America™

CAS: 38939-88-7 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD02683043 InChI Key: KGSQRFPDZCBVBS-UHFFFAOYSA-N Synonym: 3-chloro-4-nitrotoluene,2-chloro-4-methyl-1-nitro-benzene,benzene, 2-chloro-4-methyl-1-nitro,pubchem4534,acmc-1afh8,ksc493s6j PubChem CID: 123478 IUPAC Name: 2-chloro-4-methyl-1-nitrobenzene SMILES: CC1=CC(=C(C=C1)[N+](=O)[O-])Cl

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Specifications

PubChem CID	123478
CAS	38939-88-7
Molecular Weight (g/mol)	171.58
MDL Number	MFCD02683043
SMILES	CC1=CC(=C(C=C1)[N+](=O)[O-])Cl
Synonym	3-chloro-4-nitrotoluene,2-chloro-4-methyl-1-nitro-benzene,benzene, 2-chloro-4-methyl-1-nitro,pubchem4534,acmc-1afh8,ksc493s6j
IUPAC Name	2-chloro-4-methyl-1-nitrobenzene
InChI Key	KGSQRFPDZCBVBS-UHFFFAOYSA-N
Molecular Formula	C7H6ClNO2

9,384

2,4-Dimethyl-5-nitroaniline 98.0+%, TCI America™

CAS: 2124-47-2 Molecular Formula: C8H10N2O2 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00025199 InChI Key: DUIOVGPUAJSYCD-UHFFFAOYSA-N Synonym: 5-Nitro-2,4-xylidine PubChem CID: 228007 IUPAC Name: 2,4-dimethyl-5-nitroaniline SMILES: CC1=CC(=C(C=C1N)[N+](=O)[O-])C

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Specifications

PubChem CID	228007
CAS	2124-47-2
Molecular Weight (g/mol)	166.18
MDL Number	MFCD00025199
SMILES	CC1=CC(=C(C=C1N)[N+](=O)[O-])C
Synonym	5-Nitro-2,4-xylidine
IUPAC Name	2,4-dimethyl-5-nitroaniline
InChI Key	DUIOVGPUAJSYCD-UHFFFAOYSA-N
Molecular Formula	C8H10N2O2

9,385

3-Chloro-2-nitrotoluene 96.0+%, TCI America™

CAS: 5367-26-0 Molecular Formula: C15H22N2O4 Molecular Weight (g/mol): 294.35 MDL Number: MFCD04117977 InChI Key: QTKPBWWPUDOQGJ-UHFFFAOYSA-N PubChem CID: 79328 IUPAC Name: 4-[5-(4-nitrophenoxy)pentyl]morpholine SMILES: [O-][N+](=O)C1=CC=C(OCCCCCN2CCOCC2)C=C1

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Specifications

PubChem CID	79328
CAS	5367-26-0
Molecular Weight (g/mol)	294.35
MDL Number	MFCD04117977
SMILES	[O-][N+](=O)C1=CC=C(OCCCCCN2CCOCC2)C=C1
IUPAC Name	4-[5-(4-nitrophenoxy)pentyl]morpholine
InChI Key	QTKPBWWPUDOQGJ-UHFFFAOYSA-N
Molecular Formula	C15H22N2O4

9,386

2-Iodo-3-nitrotoluene 98.0+%, TCI America™

CAS: 6277-17-4 Molecular Formula: C7H6INO2 Molecular Weight (g/mol): 263.034 MDL Number: MFCD00091040 InChI Key: AKYPSJARSQSCHJ-UHFFFAOYSA-N Synonym: 2-Iodo-1-methyl-3-nitrobenzene PubChem CID: 234781 IUPAC Name: 2-iodo-1-methyl-3-nitrobenzene SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])I

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Specifications

PubChem CID	234781
CAS	6277-17-4
Molecular Weight (g/mol)	263.034
MDL Number	MFCD00091040
SMILES	CC1=C(C(=CC=C1)[N+](=O)[O-])I
Synonym	2-Iodo-1-methyl-3-nitrobenzene
IUPAC Name	2-iodo-1-methyl-3-nitrobenzene
InChI Key	AKYPSJARSQSCHJ-UHFFFAOYSA-N
Molecular Formula	C7H6INO2

9,387

2-Methyl-4-nitrobenzonitrile 98.0+%, TCI America™

CAS: 89001-53-6 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.148 MDL Number: MFCD03095378 InChI Key: RNTFKDBRMXYEPR-UHFFFAOYSA-N Synonym: 4-Nitro-o-tolunitrile PubChem CID: 4346367 IUPAC Name: 2-methyl-4-nitrobenzonitrile SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])C#N

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Specifications

PubChem CID	4346367
CAS	89001-53-6
Molecular Weight (g/mol)	162.148
MDL Number	MFCD03095378
SMILES	CC1=C(C=CC(=C1)[N+](=O)[O-])C#N
Synonym	4-Nitro-o-tolunitrile
IUPAC Name	2-methyl-4-nitrobenzonitrile
InChI Key	RNTFKDBRMXYEPR-UHFFFAOYSA-N
Molecular Formula	C8H6N2O2

9,388

4-Bromo-2-methyl-6-nitroaniline 98.0+%, TCI America™

CAS: 77811-44-0 Molecular Formula: C7H7BrN2O2 Molecular Weight (g/mol): 231.049 MDL Number: MFCD00052919 InChI Key: ZXFVKFUXKFPUQJ-UHFFFAOYSA-N Synonym: 4-bromo-2-methyl-6-nitro-phenylamine,4-bromo-2-methyl-6-nitrobenzenamine,2-amino-5-bromo-3-nitrotoluene,4-bromo-6-nitro-o-toluidine,benzenamine, 4-bromo-2-methyl-6-nitro,4-bromo-2-methyl-6-nitrophenylamine,4-bromo-2-methyl-6-nitro-aniline,pubchem3813,acmc-1bg8u,ksc496e7t PubChem CID: 522679 IUPAC Name: 4-bromo-2-methyl-6-nitroaniline SMILES: CC1=CC(=CC(=C1N)[N+](=O)[O-])Br

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Specifications

PubChem CID	522679
CAS	77811-44-0
Molecular Weight (g/mol)	231.049
MDL Number	MFCD00052919
SMILES	CC1=CC(=CC(=C1N)[N+](=O)[O-])Br
Synonym	4-bromo-2-methyl-6-nitro-phenylamine,4-bromo-2-methyl-6-nitrobenzenamine,2-amino-5-bromo-3-nitrotoluene,4-bromo-6-nitro-o-toluidine,benzenamine, 4-bromo-2-methyl-6-nitro,4-bromo-2-methyl-6-nitrophenylamine,4-bromo-2-methyl-6-nitro-aniline,pubchem3813,acmc-1bg8u,ksc496e7t
IUPAC Name	4-bromo-2-methyl-6-nitroaniline
InChI Key	ZXFVKFUXKFPUQJ-UHFFFAOYSA-N
Molecular Formula	C7H7BrN2O2

9,389

4-Iodo-2-nitrotoluene 98.0+%, TCI America™

CAS: 41252-97-5 Molecular Formula: C7H6INO2 Molecular Weight (g/mol): 263.034 MDL Number: MFCD00051090 InChI Key: QLMRDNPXYNJQMQ-UHFFFAOYSA-N Synonym: 4-iodo-2-nitrotoluene,benzene, 4-iodo-1-methyl-2-nitro,pubchem15938,2-nitro-4-iodotoluene,acmc-1apfk,maybridge1_008109,ksc493s9d,4-iodo-1-methyl-2-nitro-benzene PubChem CID: 170481 IUPAC Name: 4-iodo-1-methyl-2-nitrobenzene SMILES: CC1=C(C=C(C=C1)I)[N+](=O)[O-]

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Specifications

PubChem CID	170481
CAS	41252-97-5
Molecular Weight (g/mol)	263.034
MDL Number	MFCD00051090
SMILES	CC1=C(C=C(C=C1)I)[N+](=O)[O-]
Synonym	4-iodo-2-nitrotoluene,benzene, 4-iodo-1-methyl-2-nitro,pubchem15938,2-nitro-4-iodotoluene,acmc-1apfk,maybridge1_008109,ksc493s9d,4-iodo-1-methyl-2-nitro-benzene
IUPAC Name	4-iodo-1-methyl-2-nitrobenzene
InChI Key	QLMRDNPXYNJQMQ-UHFFFAOYSA-N
Molecular Formula	C7H6INO2

9,390

3-Chloro-2-fluorobenzoic Acid 97.0+%, TCI America™

CAS: 161957-55-7 Molecular Formula: C7H4ClFO2 Molecular Weight (g/mol): 174.555 MDL Number: MFCD00042506 InChI Key: FCSSYEWURMTUSM-UHFFFAOYSA-N Synonym: 2-fluoro-3-chlorobenzoic acid,3-chloro-2-fluoro benzoic acid,3-chloro-2-fluoro-benzoic acid,3-chloro-2-fluorobenzoicacid,3-chloro-2-fluorbenzoic acid,pubchem1332,acmc-209dnj,intermediates-zcf02219,benzoic acid, chlorofluoro,ksc112c3l PubChem CID: 302931 IUPAC Name: 3-chloro-2-fluorobenzoic acid SMILES: C1=CC(=C(C(=C1)Cl)F)C(=O)O

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Specifications

PubChem CID	302931
CAS	161957-55-7
Molecular Weight (g/mol)	174.555
MDL Number	MFCD00042506
SMILES	C1=CC(=C(C(=C1)Cl)F)C(=O)O
Synonym	2-fluoro-3-chlorobenzoic acid,3-chloro-2-fluoro benzoic acid,3-chloro-2-fluoro-benzoic acid,3-chloro-2-fluorobenzoicacid,3-chloro-2-fluorbenzoic acid,pubchem1332,acmc-209dnj,intermediates-zcf02219,benzoic acid, chlorofluoro,ksc112c3l
IUPAC Name	3-chloro-2-fluorobenzoic acid
InChI Key	FCSSYEWURMTUSM-UHFFFAOYSA-N
Molecular Formula	C7H4ClFO2

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