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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 46 results
1

3-Methyl-4-nitrobenzonitrile, 97%

CAS: 96784-54-2 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.148 MDL Number: MFCD00017615 InChI Key: IHVNKSXTJZNBQA-UHFFFAOYSA-N Synonym: benzonitrile, 3-methyl-4-nitro,5-cyano-2-nitrotoluene,3-methyl-4-nitro-benzonitrile,3-methyl-4-nitrobenzenecarbonitrile,4-nitro-m-tolunitrile,4-cyano-2-methylnitrobenzene,ihvnksxtjznbqa-uhfffaoysa PubChem CID: 2801434 IUPAC Name: 3-methyl-4-nitrobenzonitrile SMILES: CC1=C(C=CC(=C1)C#N)[N+](=O)[O-]

PubChem CID 2801434
CAS 96784-54-2
Molecular Weight (g/mol) 162.148
MDL Number MFCD00017615
SMILES CC1=C(C=CC(=C1)C#N)[N+](=O)[O-]
Synonym benzonitrile, 3-methyl-4-nitro,5-cyano-2-nitrotoluene,3-methyl-4-nitro-benzonitrile,3-methyl-4-nitrobenzenecarbonitrile,4-nitro-m-tolunitrile,4-cyano-2-methylnitrobenzene,ihvnksxtjznbqa-uhfffaoysa
IUPAC Name 3-methyl-4-nitrobenzonitrile
InChI Key IHVNKSXTJZNBQA-UHFFFAOYSA-N
Molecular Formula C8H6N2O2
2

4-Methyl-3-nitroaniline, 98%

CAS: 119-32-4 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.153 MDL Number: MFCD00007910 InChI Key: GDIIPKWHAQGCJF-UHFFFAOYSA-N Synonym: 4-amino-2-nitrotoluene,3-nitro-4-methylaniline,3-nitro-p-toluidine,m-nitro-p-toluidine,2-nitro-4-aminotoluene,benzenamine, 4-methyl-3-nitro,5-nitro-4-toluidine,p-toluidine, 3-nitro,gl-amin czech,gl-amin PubChem CID: 8390 ChEBI: CHEBI:81670 IUPAC Name: 4-methyl-3-nitroaniline SMILES: CC1=C(C=C(C=C1)N)[N+](=O)[O-]

PubChem CID 8390
CAS 119-32-4
Molecular Weight (g/mol) 152.153
ChEBI CHEBI:81670
MDL Number MFCD00007910
SMILES CC1=C(C=C(C=C1)N)[N+](=O)[O-]
Synonym 4-amino-2-nitrotoluene,3-nitro-4-methylaniline,3-nitro-p-toluidine,m-nitro-p-toluidine,2-nitro-4-aminotoluene,benzenamine, 4-methyl-3-nitro,5-nitro-4-toluidine,p-toluidine, 3-nitro,gl-amin czech,gl-amin
IUPAC Name 4-methyl-3-nitroaniline
InChI Key GDIIPKWHAQGCJF-UHFFFAOYSA-N
Molecular Formula C7H8N2O2
3

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

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

1-Bromo-2,4-dimethyl-5-nitrobenzene, 95%

CAS: 69383-59-1 Molecular Formula: C8H8BrNO2 Molecular Weight (g/mol): 230.06 MDL Number: MFCD00075824 InChI Key: HYYJANCKMGXHLQ-UHFFFAOYSA-N Synonym: 5-bromo-2,4-dimethylnitrobenzene,4-bromo-6-nitro-m-xylene,benzene, 1-bromo-2,4-dimethyl-5-nitro,1-bromo-2,4-dimethyl-5-nitro-benzene,2-nitro-4-bromo-m-xylene,2,4-dimethyl-5-nitro-1-bromobenzene,pubchem19926,benzene,1-bromo-2,4-dimethyl-5-nitro PubChem CID: 12474326 IUPAC Name: 1-bromo-2,4-dimethyl-5-nitrobenzene SMILES: CC1=CC(C)=C(Br)C=C1[N+]([O-])=O

PubChem CID 12474326
CAS 69383-59-1
Molecular Weight (g/mol) 230.06
MDL Number MFCD00075824
SMILES CC1=CC(C)=C(Br)C=C1[N+]([O-])=O
Synonym 5-bromo-2,4-dimethylnitrobenzene,4-bromo-6-nitro-m-xylene,benzene, 1-bromo-2,4-dimethyl-5-nitro,1-bromo-2,4-dimethyl-5-nitro-benzene,2-nitro-4-bromo-m-xylene,2,4-dimethyl-5-nitro-1-bromobenzene,pubchem19926,benzene,1-bromo-2,4-dimethyl-5-nitro
IUPAC Name 1-bromo-2,4-dimethyl-5-nitrobenzene
InChI Key HYYJANCKMGXHLQ-UHFFFAOYSA-N
Molecular Formula C8H8BrNO2
5

2-Bromo-1,3,5-trimethyl-4-nitrobenzene, 90+%

CAS: 90561-85-6 Molecular Formula: C9H10BrNO2 Molecular Weight (g/mol): 244.088 MDL Number: MFCD00015924 InChI Key: IUFDRRDWXUSFBG-UHFFFAOYSA-N Synonym: 3-bromo-2,4,6-trimethylnitrobenzene,2-bromo-4-nitro-1,3,5-trimethylbenzene,1-bromo-3-nitro-2,4,6-trimethylbenzene,4-bromo-2-nitromesitylene,4-bromo-1,3,5-trimethyl-2-nitrobenzene,2-bromanyl-1,3,5-trimethyl-4-nitro-benzene PubChem CID: 2757200 IUPAC Name: 2-bromo-1,3,5-trimethyl-4-nitrobenzene SMILES: CC1=CC(=C(C(=C1[N+](=O)[O-])C)Br)C

PubChem CID 2757200
CAS 90561-85-6
Molecular Weight (g/mol) 244.088
MDL Number MFCD00015924
SMILES CC1=CC(=C(C(=C1[N+](=O)[O-])C)Br)C
Synonym 3-bromo-2,4,6-trimethylnitrobenzene,2-bromo-4-nitro-1,3,5-trimethylbenzene,1-bromo-3-nitro-2,4,6-trimethylbenzene,4-bromo-2-nitromesitylene,4-bromo-1,3,5-trimethyl-2-nitrobenzene,2-bromanyl-1,3,5-trimethyl-4-nitro-benzene
IUPAC Name 2-bromo-1,3,5-trimethyl-4-nitrobenzene
InChI Key IUFDRRDWXUSFBG-UHFFFAOYSA-N
Molecular Formula C9H10BrNO2
6

2-Nitro-m-xylene, 99%

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-]

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
7

2-Bromo-6-nitrotoluene, 98%

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-]

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
8

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

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
9

2,6-Dichloro-3-nitrotoluene, 99%

CAS: 29682-46-0 Molecular Formula: C7H5Cl2NO2 Molecular Weight (g/mol): 206.02 MDL Number: MFCD00024185 InChI Key: WBNZUUIFTPNYRN-UHFFFAOYSA-N Synonym: 2,6-dichloro-3-nitrotoluene,benzene, 1,3-dichloro-2-methyl-4-nitro,2,4-dichloro-3-methylnitrobenzene,pubchem4540,acmc-209hao,ksc495g5p,wbnzuuiftpnyrn-uhfffaoysa,2,4-dichloro-3-methyl-1-nitrobenzene,1,3-dichloro-2-methyl-4-nitro-benzene PubChem CID: 97155 IUPAC Name: 1,3-dichloro-2-methyl-4-nitrobenzene SMILES: CC1=C(Cl)C=CC(=C1Cl)[N+]([O-])=O

PubChem CID 97155
CAS 29682-46-0
Molecular Weight (g/mol) 206.02
MDL Number MFCD00024185
SMILES CC1=C(Cl)C=CC(=C1Cl)[N+]([O-])=O
Synonym 2,6-dichloro-3-nitrotoluene,benzene, 1,3-dichloro-2-methyl-4-nitro,2,4-dichloro-3-methylnitrobenzene,pubchem4540,acmc-209hao,ksc495g5p,wbnzuuiftpnyrn-uhfffaoysa,2,4-dichloro-3-methyl-1-nitrobenzene,1,3-dichloro-2-methyl-4-nitro-benzene
IUPAC Name 1,3-dichloro-2-methyl-4-nitrobenzene
InChI Key WBNZUUIFTPNYRN-UHFFFAOYSA-N
Molecular Formula C7H5Cl2NO2
10

2-Chloro-4-fluoro-5-nitrotoluene, 97%, Thermo Scientific Chemicals

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-]

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
11

4-Fluoro-3-nitrotoluene, 98%

CAS: 446-11-7 Molecular Formula: C7H6FNO2 Molecular Weight (g/mol): 155.128 MDL Number: MFCD00007060 InChI Key: OORBDHOQLZRIQR-UHFFFAOYSA-N Synonym: 4-fluoro-3-nitrotoluene,3-nitro-4-fluorotoluene,2-fluoro-5-methylnitrobenzene,4-methyl-2-nitro-1-fluorobenzene,1-fluoro-4-methyl-2-nitro-benzene,benzene, 1-fluoro-4-methyl-2-nitro,pubchem1597,acmc-1aqwi,4-fluro-3-nitrotoluene,4-fluoro-3-nitro toluene PubChem CID: 136287 IUPAC Name: 1-fluoro-4-methyl-2-nitrobenzene SMILES: CC1=CC(=C(C=C1)F)[N+](=O)[O-]

PubChem CID 136287
CAS 446-11-7
Molecular Weight (g/mol) 155.128
MDL Number MFCD00007060
SMILES CC1=CC(=C(C=C1)F)[N+](=O)[O-]
Synonym 4-fluoro-3-nitrotoluene,3-nitro-4-fluorotoluene,2-fluoro-5-methylnitrobenzene,4-methyl-2-nitro-1-fluorobenzene,1-fluoro-4-methyl-2-nitro-benzene,benzene, 1-fluoro-4-methyl-2-nitro,pubchem1597,acmc-1aqwi,4-fluro-3-nitrotoluene,4-fluoro-3-nitro toluene
IUPAC Name 1-fluoro-4-methyl-2-nitrobenzene
InChI Key OORBDHOQLZRIQR-UHFFFAOYSA-N
Molecular Formula C7H6FNO2
12

4-Methyl-3-nitroaniline, 97%

CAS: 119-32-4 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00007910 InChI Key: GDIIPKWHAQGCJF-UHFFFAOYSA-N Synonym: 4-amino-2-nitrotoluene,3-nitro-4-methylaniline,3-nitro-p-toluidine,m-nitro-p-toluidine,2-nitro-4-aminotoluene,benzenamine, 4-methyl-3-nitro,5-nitro-4-toluidine,p-toluidine, 3-nitro,gl-amin czech,gl-amin PubChem CID: 8390 ChEBI: CHEBI:81670 IUPAC Name: 4-methyl-3-nitroaniline SMILES: CC1=C(C=C(C=C1)N)[N+](=O)[O-]

PubChem CID 8390
CAS 119-32-4
Molecular Weight (g/mol) 152.15
ChEBI CHEBI:81670
MDL Number MFCD00007910
SMILES CC1=C(C=C(C=C1)N)[N+](=O)[O-]
Synonym 4-amino-2-nitrotoluene,3-nitro-4-methylaniline,3-nitro-p-toluidine,m-nitro-p-toluidine,2-nitro-4-aminotoluene,benzenamine, 4-methyl-3-nitro,5-nitro-4-toluidine,p-toluidine, 3-nitro,gl-amin czech,gl-amin
IUPAC Name 4-methyl-3-nitroaniline
InChI Key GDIIPKWHAQGCJF-UHFFFAOYSA-N
Molecular Formula C7H8N2O2
13

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

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
14

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

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
15

2-Methyl-4-nitroaniline, 99%

CAS: 99-52-5 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00007734 InChI Key: XTTIQGSLJBWVIV-UHFFFAOYSA-N Synonym: 2-amino-5-nitrotoluene,4-nitro-o-toluidine,5-nitro-2-aminotoluene,p-nitro-o-toluidine,benzenamine, 2-methyl-4-nitro,fast red rl base,1-amino-2-methyl-4-nitrobenzene,diabase red rl,ansibases red rl,devol red rl PubChem CID: 7441 IUPAC Name: 2-methyl-4-nitroaniline SMILES: CC1=CC(=CC=C1N)[N+]([O-])=O

PubChem CID 7441
CAS 99-52-5
Molecular Weight (g/mol) 152.15
MDL Number MFCD00007734
SMILES CC1=CC(=CC=C1N)[N+]([O-])=O
Synonym 2-amino-5-nitrotoluene,4-nitro-o-toluidine,5-nitro-2-aminotoluene,p-nitro-o-toluidine,benzenamine, 2-methyl-4-nitro,fast red rl base,1-amino-2-methyl-4-nitrobenzene,diabase red rl,ansibases red rl,devol red rl
IUPAC Name 2-methyl-4-nitroaniline
InChI Key XTTIQGSLJBWVIV-UHFFFAOYSA-N
Molecular Formula C7H8N2O2