Nitrotoluenes

Organic compounds that consist of a toluene molecule with a nitro group substitution; a nitro group has a nitrogen atom bonded to two oxygen groups in a single and a double bond. A toluene molecule is a benzene with a methyl group substitution.

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91 – 105 of 247 results

2-Chloro-6-nitrotoluene 99.0+%, TCI America™

CAS: 83-42-1 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007205 InChI Key: XCSNRORTQRKCHB-UHFFFAOYSA-N Synonym: 2-chloro-6-nitrotoluene,6-chloro-2-nitrotoluene,benzene, 1-chloro-2-methyl-3-nitro,toluene, 2-chloro-6-nitro,3-chloro-2-methylnitrobenzene,caswell no. 202,unii-wez013857x,epa pesticide chemical code 019001,chloro-o-nitrotoluene,pubchem14277 PubChem CID: 6740 IUPAC Name: 1-chloro-2-methyl-3-nitrobenzene SMILES: CC1=C(Cl)C=CC=C1[N+]([O-])=O

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PubChem CID	6740
CAS	83-42-1
Molecular Weight (g/mol)	171.58
MDL Number	MFCD00007205
SMILES	CC1=C(Cl)C=CC=C1[N+]([O-])=O
Synonym	2-chloro-6-nitrotoluene,6-chloro-2-nitrotoluene,benzene, 1-chloro-2-methyl-3-nitro,toluene, 2-chloro-6-nitro,3-chloro-2-methylnitrobenzene,caswell no. 202,unii-wez013857x,epa pesticide chemical code 019001,chloro-o-nitrotoluene,pubchem14277
IUPAC Name	1-chloro-2-methyl-3-nitrobenzene
InChI Key	XCSNRORTQRKCHB-UHFFFAOYSA-N
Molecular Formula	C7H6ClNO2

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

CAS: 60956-26-5 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.034 MDL Number: MFCD00041243 InChI Key: KZNXALJXBRSMFL-UHFFFAOYSA-N Synonym: 4-bromo-2-nitrotoluene,2-nitro-4-bromotoluene,4-bromo-6-nitrotoluene,bromo 4--2-nitrotoluene,5-bromo-2-methylnitrobenzene,benzene, 4-bromo-1-methyl-2-nitro,4-bromo-1-methyl-2-nitro-benzene,4-brom-2-nitrotoluol,pubchem10403,maybridge1_002072 PubChem CID: 123546 IUPAC Name: 4-bromo-1-methyl-2-nitrobenzene SMILES: CC1=C(C=C(C=C1)Br)[N+](=O)[O-]

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PubChem CID	123546
CAS	60956-26-5
Molecular Weight (g/mol)	216.034
MDL Number	MFCD00041243
SMILES	CC1=C(C=C(C=C1)Br)[N+](=O)[O-]
Synonym	4-bromo-2-nitrotoluene,2-nitro-4-bromotoluene,4-bromo-6-nitrotoluene,bromo 4--2-nitrotoluene,5-bromo-2-methylnitrobenzene,benzene, 4-bromo-1-methyl-2-nitro,4-bromo-1-methyl-2-nitro-benzene,4-brom-2-nitrotoluol,pubchem10403,maybridge1_002072
IUPAC Name	4-bromo-1-methyl-2-nitrobenzene
InChI Key	KZNXALJXBRSMFL-UHFFFAOYSA-N
Molecular Formula	C7H6BrNO2

2,6-Dimethylnitrobenzene 99.0+%, TCI America™

CAS: 81-20-9 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00007181 InChI Key: HDFQKJQEWGVKCQ-UHFFFAOYSA-N Synonym: 2-nitro-m-xylene,2,6-dimethylnitrobenzene,benzene, 1,3-dimethyl-2-nitro,2,6-dimethyl-1-nitrobenzene,m-xylene, 2-nitro,ccris 3119,1,3-dimethyl-2-nitro-benzene,dsstox_cid_5134,dsstox_rid_77678,dsstox_gsid_25134 PubChem CID: 6672 IUPAC Name: 1,3-dimethyl-2-nitrobenzene SMILES: CC1=C(C(=CC=C1)C)[N+](=O)[O-]

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PubChem CID	6672
CAS	81-20-9
Molecular Weight (g/mol)	151.165
MDL Number	MFCD00007181
SMILES	CC1=C(C(=CC=C1)C)[N+](=O)[O-]
Synonym	2-nitro-m-xylene,2,6-dimethylnitrobenzene,benzene, 1,3-dimethyl-2-nitro,2,6-dimethyl-1-nitrobenzene,m-xylene, 2-nitro,ccris 3119,1,3-dimethyl-2-nitro-benzene,dsstox_cid_5134,dsstox_rid_77678,dsstox_gsid_25134
IUPAC Name	1,3-dimethyl-2-nitrobenzene
InChI Key	HDFQKJQEWGVKCQ-UHFFFAOYSA-N
Molecular Formula	C8H9NO2

2-Bromo-6-nitrotoluene 98.0+%, TCI America™

CAS: 55289-35-5 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.034 MDL Number: MFCD00009792 InChI Key: LYTNSGFSAXWBCA-UHFFFAOYSA-N Synonym: 2-bromo-6-nitrotoluene,6-bromo-2-nitrotoluene,3-bromo-2-methylnitrobenzene,1-bromo-2-methyl-3-nitro-benzene,benzene, 1-bromo-2-methyl-3-nitro,bromo 2--6-nitrotoluene,2-bromo-6-nitrotoluene,2-nitro-6-bromotoluene,3-bromo-2-methyl-1-nitrobenzene,1-brom-2-methyl-3-nitrobenzol,pubchem3823 PubChem CID: 123537 IUPAC Name: 1-bromo-2-methyl-3-nitrobenzene SMILES: CC1=C(C=CC=C1Br)[N+](=O)[O-]

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PubChem CID	123537
CAS	55289-35-5
Molecular Weight (g/mol)	216.034
MDL Number	MFCD00009792
SMILES	CC1=C(C=CC=C1Br)[N+](=O)[O-]
Synonym	2-bromo-6-nitrotoluene,6-bromo-2-nitrotoluene,3-bromo-2-methylnitrobenzene,1-bromo-2-methyl-3-nitro-benzene,benzene, 1-bromo-2-methyl-3-nitro,bromo 2--6-nitrotoluene,2-bromo-6-nitrotoluene,2-nitro-6-bromotoluene,3-bromo-2-methyl-1-nitrobenzene,1-brom-2-methyl-3-nitrobenzol,pubchem3823
IUPAC Name	1-bromo-2-methyl-3-nitrobenzene
InChI Key	LYTNSGFSAXWBCA-UHFFFAOYSA-N
Molecular Formula	C7H6BrNO2

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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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

2-Iodo-4-nitrotoluene 97.0+%, TCI America™

CAS: 7745-92-8 Molecular Formula: C7H6INO2 Molecular Weight (g/mol): 263.03 MDL Number: MFCD00024329 InChI Key: BUQSRXQJUZTIEW-UHFFFAOYSA-N Synonym: 2-iodo-4-nitrotoluene,benzene, 2-iodo-1-methyl-4-nitro,2-iodo-1-methyl-4-nitro-benzene,pubchem3957,acmc-209pa2,toluene, 2-iodo-4-nitro,timtec-bb sbb005821 PubChem CID: 82188 IUPAC Name: 2-iodo-1-methyl-4-nitrobenzene SMILES: CC1=CC=C(C=C1I)[N+]([O-])=O

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PubChem CID	82188
CAS	7745-92-8
Molecular Weight (g/mol)	263.03
MDL Number	MFCD00024329
SMILES	CC1=CC=C(C=C1I)[N+]([O-])=O
Synonym	2-iodo-4-nitrotoluene,benzene, 2-iodo-1-methyl-4-nitro,2-iodo-1-methyl-4-nitro-benzene,pubchem3957,acmc-209pa2,toluene, 2-iodo-4-nitro,timtec-bb sbb005821
IUPAC Name	2-iodo-1-methyl-4-nitrobenzene
InChI Key	BUQSRXQJUZTIEW-UHFFFAOYSA-N
Molecular Formula	C7H6INO2

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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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

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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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

N-Methyl-4-nitro-o-toluidine 97.0+%, TCI America™

CAS: 10439-77-7 Molecular Formula: C8H10N2O2 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00059083 InChI Key: NJYYBTRBCMPYCJ-UHFFFAOYSA-N Synonym: N,2-Dimethyl-4-nitroaniline, 2-(Methylamino)-5-nitrotoluene PubChem CID: 25282 IUPAC Name: N,2-dimethyl-4-nitroaniline SMILES: CNC1=CC=C(C=C1C)[N+]([O-])=O

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PubChem CID	25282
CAS	10439-77-7
Molecular Weight (g/mol)	166.18
MDL Number	MFCD00059083
SMILES	CNC1=CC=C(C=C1C)[N+]([O-])=O
Synonym	N,2-Dimethyl-4-nitroaniline, 2-(Methylamino)-5-nitrotoluene
IUPAC Name	N,2-dimethyl-4-nitroaniline
InChI Key	NJYYBTRBCMPYCJ-UHFFFAOYSA-N
Molecular Formula	C8H10N2O2

100

3-Methyl-4-nitroaniline 97.0+%, TCI America™

CAS: 611-05-2 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.153 InChI Key: XPAYEWBTLKOEDA-UHFFFAOYSA-N Synonym: 4-nitro-m-toluidine,benzenamine, 3-methyl-4-nitro,3-methyl-4-nitro-aniline,3-methyl-4-nitro-phenylamine,3-methyl-4-nitrophenylamine,4-nitro-m-toluidin,3-methyl4-nitroaniline,pubchem12456,3-mehtyl-4-nitroanilin,5-amino-2-nitrotoluene PubChem CID: 11898 IUPAC Name: 3-methyl-4-nitroaniline SMILES: CC1=C(C=CC(=C1)N)[N+](=O)[O-]

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PubChem CID	11898
CAS	611-05-2
Molecular Weight (g/mol)	152.153
SMILES	CC1=C(C=CC(=C1)N)[N+](=O)[O-]
Synonym	4-nitro-m-toluidine,benzenamine, 3-methyl-4-nitro,3-methyl-4-nitro-aniline,3-methyl-4-nitro-phenylamine,3-methyl-4-nitrophenylamine,4-nitro-m-toluidin,3-methyl4-nitroaniline,pubchem12456,3-mehtyl-4-nitroanilin,5-amino-2-nitrotoluene
IUPAC Name	3-methyl-4-nitroaniline
InChI Key	XPAYEWBTLKOEDA-UHFFFAOYSA-N
Molecular Formula	C7H8N2O2

101

4-Methyl-3-nitrobenzyl Alcohol 96.0+%, TCI America™

CAS: 40870-59-5 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD00007177 InChI Key: URCWIFSXDARYLY-UHFFFAOYSA-N PubChem CID: 123497 IUPAC Name: (4-methyl-3-nitrophenyl)methanol SMILES: CC1=C(C=C(C=C1)CO)[N+](=O)[O-]

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PubChem CID	123497
CAS	40870-59-5
Molecular Weight (g/mol)	167.164
MDL Number	MFCD00007177
SMILES	CC1=C(C=C(C=C1)CO)[N+](=O)[O-]
IUPAC Name	(4-methyl-3-nitrophenyl)methanol
InChI Key	URCWIFSXDARYLY-UHFFFAOYSA-N
Molecular Formula	C8H9NO3

102

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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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

103

3,5-Dimethylnitrobenzene 98.0+%, TCI America™

CAS: 99-12-7 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.17 MDL Number: MFCD00007269 InChI Key: BYFNZOKBMZKTSC-UHFFFAOYSA-N Synonym: 5-nitro-m-xylene,3,5-dimethylnitrobenzene,3,5-dimethyl-1-nitrobenzene,benzene, 1,3-dimethyl-5-nitro,nitroxylol,m-xylene, 5-nitro,unii-5hvw2qtf0d,ccris 3121,5hvw2qtf0d,5-nitro-m-xylol PubChem CID: 7426 IUPAC Name: 1,3-dimethyl-5-nitrobenzene SMILES: CC1=CC(=CC(C)=C1)[N+]([O-])=O

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PubChem CID	7426
CAS	99-12-7
Molecular Weight (g/mol)	151.17
MDL Number	MFCD00007269
SMILES	CC1=CC(=CC(C)=C1)[N+]([O-])=O
Synonym	5-nitro-m-xylene,3,5-dimethylnitrobenzene,3,5-dimethyl-1-nitrobenzene,benzene, 1,3-dimethyl-5-nitro,nitroxylol,m-xylene, 5-nitro,unii-5hvw2qtf0d,ccris 3121,5hvw2qtf0d,5-nitro-m-xylol
IUPAC Name	1,3-dimethyl-5-nitrobenzene
InChI Key	BYFNZOKBMZKTSC-UHFFFAOYSA-N
Molecular Formula	C8H9NO2

104

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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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

105

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

CAS: 455-88-9 Molecular Formula: C7H6FNO2 Molecular Weight (g/mol): 155.13 MDL Number: MFCD00007284 InChI Key: XUCYJGMIICONES-UHFFFAOYSA-N Synonym: 2-fluoro-5-nitrotoluene,benzene, 1-fluoro-2-methyl-4-nitro,4-fluoro-3-methylnitrobenzene,toluene, 2-fluoro-5-nitro,1-fluoro-2-methyl-4-nitro-benzene,5-nitro-2-fluorotoluene,3-methyl-4-fluoronitrobenzene,pubchem1593,2-fluoro-5-nitro-toluene,5-nitro-2-fluoro toluene PubChem CID: 68001 IUPAC Name: 1-fluoro-2-methyl-4-nitrobenzene SMILES: CC1=CC(=CC=C1F)[N+]([O-])=O

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PubChem CID	68001
CAS	455-88-9
Molecular Weight (g/mol)	155.13
MDL Number	MFCD00007284
SMILES	CC1=CC(=CC=C1F)[N+]([O-])=O
Synonym	2-fluoro-5-nitrotoluene,benzene, 1-fluoro-2-methyl-4-nitro,4-fluoro-3-methylnitrobenzene,toluene, 2-fluoro-5-nitro,1-fluoro-2-methyl-4-nitro-benzene,5-nitro-2-fluorotoluene,3-methyl-4-fluoronitrobenzene,pubchem1593,2-fluoro-5-nitro-toluene,5-nitro-2-fluoro toluene
IUPAC Name	1-fluoro-2-methyl-4-nitrobenzene
InChI Key	XUCYJGMIICONES-UHFFFAOYSA-N
Molecular Formula	C7H6FNO2

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