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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1 – 15 of 206 results

4-Nitrotoluene, 99%

CAS: 99-99-0 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007366 InChI Key: ZPTVNYMJQHSSEA-UHFFFAOYSA-N Synonym: 4-nitrotoluene,p-nitrotoluene,4-methylnitrobenzene,4-nitrotoluol,benzene, 1-methyl-4-nitro,toluene, p-nitro,p-methylnitrobenzene,para-nitrotoluol,nitrotoluenos,nitrotoluene, p PubChem CID: 7473 ChEBI: CHEBI:35227 IUPAC Name: 1-methyl-4-nitrobenzene SMILES: CC1=CC=C(C=C1)[N+]([O-])=O

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PubChem CID	7473
CAS	99-99-0
Molecular Weight (g/mol)	137.14
ChEBI	CHEBI:35227
MDL Number	MFCD00007366
SMILES	CC1=CC=C(C=C1)[N+]([O-])=O
Synonym	4-nitrotoluene,p-nitrotoluene,4-methylnitrobenzene,4-nitrotoluol,benzene, 1-methyl-4-nitro,toluene, p-nitro,p-methylnitrobenzene,para-nitrotoluol,nitrotoluenos,nitrotoluene, p
IUPAC Name	1-methyl-4-nitrobenzene
InChI Key	ZPTVNYMJQHSSEA-UHFFFAOYSA-N
Molecular Formula	C7H7NO2

3-Nitrotoluene, 99%

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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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

4-Bromo-2-methyl-6-nitroaniline, 97%

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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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

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

PubChem CID	7473
CAS	99-99-0
Molecular Weight (g/mol)	137.14
ChEBI	CHEBI:35227
MDL Number	MFCD00007366
SMILES	CC1=CC=C(C=C1)[N+]([O-])=O
Synonym	4-nitrotoluene,p-nitrotoluene,4-methylnitrobenzene,4-nitrotoluol,benzene, 1-methyl-4-nitro,toluene, p-nitro,p-methylnitrobenzene,para-nitrotoluol,nitrotoluenos,nitrotoluene, p
IUPAC Name	1-methyl-4-nitrobenzene
InChI Key	ZPTVNYMJQHSSEA-UHFFFAOYSA-N
Molecular Formula	C7H7NO2

4,6-Dimethyl-2-nitroaniline, 97%

CAS: 1635-84-3 Molecular Formula: C₈H₁₀N₂O₂ Molecular Weight (g/mol): 166.18 InChI Key: VSRYYONYIUUFFY-UHFFFAOYSA-N Synonym: 4,6-dimethyl-2-nitroaniline,6-nitro-2,4-xylidine,2,4-dimethyl-6-nitrophenyl amine,benzenamine, 2,4-dimethyl-6-nitro,2,4-dimethyl-6-nitrophenylamine,acmc-209uyq,intermediates-zcf02230,4-amino-5-nitro-m-xylene,cambridge id 5100320,2-nitro-4,6-dimethylaniline PubChem CID: 74219 IUPAC Name: 2,4-dimethyl-6-nitroaniline SMILES: CC1=CC(=C(C(=C1)[N+](=O)[O-])N)C

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PubChem CID	74219
CAS	1635-84-3
Molecular Weight (g/mol)	166.18
SMILES	CC1=CC(=C(C(=C1)[N+](=O)[O-])N)C
Synonym	4,6-dimethyl-2-nitroaniline,6-nitro-2,4-xylidine,2,4-dimethyl-6-nitrophenyl amine,benzenamine, 2,4-dimethyl-6-nitro,2,4-dimethyl-6-nitrophenylamine,acmc-209uyq,intermediates-zcf02230,4-amino-5-nitro-m-xylene,cambridge id 5100320,2-nitro-4,6-dimethylaniline
IUPAC Name	2,4-dimethyl-6-nitroaniline
InChI Key	VSRYYONYIUUFFY-UHFFFAOYSA-N
Molecular Formula	C₈H₁₀N₂O₂

3-Methyl-4-nitroaniline, 95%

CAS: 611-05-2 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.153 MDL Number: MFCD00091833 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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Specifications

PubChem CID	11898
CAS	611-05-2
Molecular Weight (g/mol)	152.153
MDL Number	MFCD00091833
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

4-Methyl-3-nitrobenzeneboronic acid, 98%

CAS: 80500-27-2 Molecular Formula: C7H8BNO4 Molecular Weight (g/mol): 180.954 MDL Number: MFCD00191550 InChI Key: OASVXBRTNVFKFS-UHFFFAOYSA-N Synonym: 4-methyl-3-nitrophenyl boronic acid,4-methyl-3-nitrobenzeneboronic acid,3-nitro-p-tolylboronic acid,4-methyl-3-nitrophenyl boranediol,4-methyl-3-nitro-phenyl boronic acid,3-nitro-4-methylphenylboronic acid,2-nitrotoluene-4-boronic acid,boronic acid, 4-methyl-3-nitrophenyl,3-nitro-4-methylbenzeneboronic acid PubChem CID: 2773515 IUPAC Name: (4-methyl-3-nitrophenyl)boronic acid SMILES: B(C1=CC(=C(C=C1)C)[N+](=O)[O-])(O)O

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PubChem CID	2773515
CAS	80500-27-2
Molecular Weight (g/mol)	180.954
MDL Number	MFCD00191550
SMILES	B(C1=CC(=C(C=C1)C)[N+](=O)[O-])(O)O
Synonym	4-methyl-3-nitrophenyl boronic acid,4-methyl-3-nitrobenzeneboronic acid,3-nitro-p-tolylboronic acid,4-methyl-3-nitrophenyl boranediol,4-methyl-3-nitro-phenyl boronic acid,3-nitro-4-methylphenylboronic acid,2-nitrotoluene-4-boronic acid,boronic acid, 4-methyl-3-nitrophenyl,3-nitro-4-methylbenzeneboronic acid
IUPAC Name	(4-methyl-3-nitrophenyl)boronic acid
InChI Key	OASVXBRTNVFKFS-UHFFFAOYSA-N
Molecular Formula	C7H8BNO4

4-Methyl-2-nitroaniline, 99%

CAS: 89-62-3 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00007907 InChI Key: DLURHXYXQYMPLT-UHFFFAOYSA-N Synonym: 2-nitro-p-toluidine,4-amino-3-nitrotoluene,3-nitro-4-toluidine,fast red gl,3-nitro-4-aminotoluene,fast red gl base,benzenamine, 4-methyl-2-nitro,2-nitro-4-methylaniline,4-methyl-6-nitroaniline,mnpt PubChem CID: 6978 ChEBI: CHEBI:66920 IUPAC Name: 4-methyl-2-nitroaniline SMILES: CC1=CC=C(N)C(=C1)[N+]([O-])=O

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PubChem CID	6978
CAS	89-62-3
Molecular Weight (g/mol)	152.15
ChEBI	CHEBI:66920
MDL Number	MFCD00007907
SMILES	CC1=CC=C(N)C(=C1)[N+]([O-])=O
Synonym	2-nitro-p-toluidine,4-amino-3-nitrotoluene,3-nitro-4-toluidine,fast red gl,3-nitro-4-aminotoluene,fast red gl base,benzenamine, 4-methyl-2-nitro,2-nitro-4-methylaniline,4-methyl-6-nitroaniline,mnpt
IUPAC Name	4-methyl-2-nitroaniline
InChI Key	DLURHXYXQYMPLT-UHFFFAOYSA-N
Molecular Formula	C7H8N2O2

4,5-Difluoro-2-nitrotoluene, 98%, Thermo Scientific Chemicals

CAS: 127371-50-0 Molecular Formula: C7H5F2NO2 Molecular Weight (g/mol): 173.119 MDL Number: MFCD04973772 InChI Key: DJEBTFSOEQWELL-UHFFFAOYSA-N Synonym: 4,5-difluoro-2-nitrotoluene,2-nitro-4,5-difluorotoluene,4,5-difluoro-2-methylnitrobenzene,4,5-difluoro-1-methyl-2-nitrobenzene,benzene,1,2-difluoro-4-methyl-5-nitro,pubchem18518,acmc-1c6zu,1-nitro-3,4-difluoro-6-methylbenzene,1,2-difluoro-4-methyl-5-nitro-benzene,benzene, 1,2-difluoro-4-methyl-5-nitro PubChem CID: 2756252 IUPAC Name: 1,2-difluoro-4-methyl-5-nitrobenzene SMILES: CC1=CC(=C(C=C1[N+](=O)[O-])F)F

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PubChem CID	2756252
CAS	127371-50-0
Molecular Weight (g/mol)	173.119
MDL Number	MFCD04973772
SMILES	CC1=CC(=C(C=C1[N+](=O)[O-])F)F
Synonym	4,5-difluoro-2-nitrotoluene,2-nitro-4,5-difluorotoluene,4,5-difluoro-2-methylnitrobenzene,4,5-difluoro-1-methyl-2-nitrobenzene,benzene,1,2-difluoro-4-methyl-5-nitro,pubchem18518,acmc-1c6zu,1-nitro-3,4-difluoro-6-methylbenzene,1,2-difluoro-4-methyl-5-nitro-benzene,benzene, 1,2-difluoro-4-methyl-5-nitro
IUPAC Name	1,2-difluoro-4-methyl-5-nitrobenzene
InChI Key	DJEBTFSOEQWELL-UHFFFAOYSA-N
Molecular Formula	C7H5F2NO2

4-Chloro-2-methyl-6-nitroaniline, 98%

CAS: 62790-50-5 Molecular Formula: C7H7ClN2O2 Molecular Weight (g/mol): 186.60 MDL Number: MFCD01320687 InChI Key: QDSCDFKGUAONPC-UHFFFAOYSA-N PubChem CID: 182355 IUPAC Name: 4-chloro-2-methyl-6-nitroaniline SMILES: CC1=CC(Cl)=CC(=C1N)[N+]([O-])=O

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Specifications

PubChem CID	182355
CAS	62790-50-5
Molecular Weight (g/mol)	186.60
MDL Number	MFCD01320687
SMILES	CC1=CC(Cl)=CC(=C1N)[N+]([O-])=O
IUPAC Name	4-chloro-2-methyl-6-nitroaniline
InChI Key	QDSCDFKGUAONPC-UHFFFAOYSA-N
Molecular Formula	C7H7ClN2O2

4-Bromo-2-nitrotoluene, 99%

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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Specifications

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

4-Iodo-2-nitrotoluene, 97%

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

5-Fluoro-2-nitrotoluene, 98+%

CAS: 446-33-3 Molecular Formula: C7H6FNO2 Molecular Weight (g/mol): 155.128 MDL Number: MFCD00007283 InChI Key: JHFOWEGCZWLHNW-UHFFFAOYSA-N Synonym: 5-fluoro-2-nitrotoluene,3-fluoro-6-nitrotoluene,4-fluoro-2-methylnitrobenzene,2-nitro-5-fluoro toluene,benzene, 4-fluoro-2-methyl-1-nitro,toluene, 5-fluoro-2-nitro,2-nitro-5-fluorotoluene,2-methyl-4-fluoronitrobenzene,3-methyl-4-nitrofluorobenzene,4-fluoro-2-methyl-1-nitro-benzene PubChem CID: 94956 IUPAC Name: 4-fluoro-2-methyl-1-nitrobenzene SMILES: CC1=C(C=CC(=C1)F)[N+](=O)[O-]

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Specifications

PubChem CID	94956
CAS	446-33-3
Molecular Weight (g/mol)	155.128
MDL Number	MFCD00007283
SMILES	CC1=C(C=CC(=C1)F)[N+](=O)[O-]
Synonym	5-fluoro-2-nitrotoluene,3-fluoro-6-nitrotoluene,4-fluoro-2-methylnitrobenzene,2-nitro-5-fluoro toluene,benzene, 4-fluoro-2-methyl-1-nitro,toluene, 5-fluoro-2-nitro,2-nitro-5-fluorotoluene,2-methyl-4-fluoronitrobenzene,3-methyl-4-nitrofluorobenzene,4-fluoro-2-methyl-1-nitro-benzene
IUPAC Name	4-fluoro-2-methyl-1-nitrobenzene
InChI Key	JHFOWEGCZWLHNW-UHFFFAOYSA-N
Molecular Formula	C7H6FNO2

2-Methyl-5-Nitroaniline, Spectrum™ Chemical

CAS: 99-55-8 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 InChI Key: DSBIJCMXAIKKKI-UHFFFAOYSA-N IUPAC Name: 2-methyl-5-nitroaniline SMILES: CC1=CC=C(C=C1N)[N+]([O-])=O

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Specifications

CAS	99-55-8
Molecular Weight (g/mol)	152.15
SMILES	CC1=CC=C(C=C1N)[N+]([O-])=O
IUPAC Name	2-methyl-5-nitroaniline
InChI Key	DSBIJCMXAIKKKI-UHFFFAOYSA-N
Molecular Formula	C7H8N2O2

Nitrotoluenes

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