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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

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

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
2

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
3

4-Bromo-3-nitrotoluene, 98+%

CAS: 5326-34-1 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.03 MDL Number: MFCD00024180 InChI Key: UPBUTKQMDPHQAQ-UHFFFAOYSA-N Synonym: 4-bromo-3-nitrotoluene,2-bromo-5-methylnitrobenzene,benzene, 1-bromo-4-methyl-2-nitro,bromonitrotoluene-4,1-bromo-4-methyl-2-nitro-benzene,3-nitro-4-bromotoluene,pubchem9585,acmc-209l5d,ksc490m7t,tpc-i121 PubChem CID: 79224 IUPAC Name: 1-bromo-4-methyl-2-nitrobenzene SMILES: CC1=CC=C(Br)C(=C1)[N+]([O-])=O

PubChem CID 79224
CAS 5326-34-1
Molecular Weight (g/mol) 216.03
MDL Number MFCD00024180
SMILES CC1=CC=C(Br)C(=C1)[N+]([O-])=O
Synonym 4-bromo-3-nitrotoluene,2-bromo-5-methylnitrobenzene,benzene, 1-bromo-4-methyl-2-nitro,bromonitrotoluene-4,1-bromo-4-methyl-2-nitro-benzene,3-nitro-4-bromotoluene,pubchem9585,acmc-209l5d,ksc490m7t,tpc-i121
IUPAC Name 1-bromo-4-methyl-2-nitrobenzene
InChI Key UPBUTKQMDPHQAQ-UHFFFAOYSA-N
Molecular Formula C7H6BrNO2
4

5-Fluoro-1,3-dimethyl-2-nitrobenzene, 98%

CAS: 315-12-8 Molecular Formula: C8H8FNO2 Molecular Weight (g/mol): 169.155 MDL Number: MFCD03413407 InChI Key: KDPQDERPJHLWGF-UHFFFAOYSA-N Synonym: 2,6-dimethyl-4-fluoronitrobenzene,5-fluoro-2-nitro-m-xylene,1,3-dimethyl-5-fluoro-2-nitrobenzene,benzene, 5-fluoro-1,3-dimethyl-2-nitro,4-fluoro-2,6-dimethyl-1-nitrobenzene,benzene,5-fluoro-1,3-dimethyl-2-nitro,5-fluoro-2-nitro-1,3-dimethylbenzene PubChem CID: 12651353 IUPAC Name: 5-fluoro-1,3-dimethyl-2-nitrobenzene SMILES: CC1=CC(=CC(=C1[N+](=O)[O-])C)F

PubChem CID 12651353
CAS 315-12-8
Molecular Weight (g/mol) 169.155
MDL Number MFCD03413407
SMILES CC1=CC(=CC(=C1[N+](=O)[O-])C)F
Synonym 2,6-dimethyl-4-fluoronitrobenzene,5-fluoro-2-nitro-m-xylene,1,3-dimethyl-5-fluoro-2-nitrobenzene,benzene, 5-fluoro-1,3-dimethyl-2-nitro,4-fluoro-2,6-dimethyl-1-nitrobenzene,benzene,5-fluoro-1,3-dimethyl-2-nitro,5-fluoro-2-nitro-1,3-dimethylbenzene
IUPAC Name 5-fluoro-1,3-dimethyl-2-nitrobenzene
InChI Key KDPQDERPJHLWGF-UHFFFAOYSA-N
Molecular Formula C8H8FNO2
5

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
6

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
7

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
8

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
9

2-Chloro-4-nitrotoluene, 98%

CAS: 121-86-8 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007210 InChI Key: LLYXJBROWQDVMI-UHFFFAOYSA-N Synonym: 2-chloro-4-nitrotoluene,benzene, 2-chloro-1-methyl-4-nitro,o-chloro-p-nitrotoluol,toluene, 2-chloro-4-nitro,3-chloro-4-methylnitrobenzene,2-chlor-4-nitrotoluen,unii-9t26lnr6t8,2-chloro-4-nitrotoluen czech,2,4-chloronitrotoluene,2-chloro-4-nitro-1-methylbenzene PubChem CID: 8491 IUPAC Name: 2-chloro-1-methyl-4-nitrobenzene SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])Cl

PubChem CID 8491
CAS 121-86-8
Molecular Weight (g/mol) 171.58
MDL Number MFCD00007210
SMILES CC1=C(C=C(C=C1)[N+](=O)[O-])Cl
Synonym 2-chloro-4-nitrotoluene,benzene, 2-chloro-1-methyl-4-nitro,o-chloro-p-nitrotoluol,toluene, 2-chloro-4-nitro,3-chloro-4-methylnitrobenzene,2-chlor-4-nitrotoluen,unii-9t26lnr6t8,2-chloro-4-nitrotoluen czech,2,4-chloronitrotoluene,2-chloro-4-nitro-1-methylbenzene
IUPAC Name 2-chloro-1-methyl-4-nitrobenzene
InChI Key LLYXJBROWQDVMI-UHFFFAOYSA-N
Molecular Formula C7H6ClNO2
10

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
11

2-(2-Methyl-6-nitrophenyl)acetic acid, 95%, Thermo Scientific Chemicals

CAS: 23876-18-8 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD00066313 InChI Key: WFKNETIJXXWRHO-UHFFFAOYSA-N Synonym: 2-2-methyl-6-nitrophenyl acetic acid,2-methyl-6-nitrophenylacetic acid,2-methyl-6-nitrophenyl acetic acid,2-methyl-6-nitro-phenylacetic acid,2-6-methyl-2-nitrophenyl acetic acid PubChem CID: 675115 SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])CC(=O)O

PubChem CID 675115
CAS 23876-18-8
Molecular Weight (g/mol) 195.174
MDL Number MFCD00066313
SMILES CC1=C(C(=CC=C1)[N+](=O)[O-])CC(=O)O
Synonym 2-2-methyl-6-nitrophenyl acetic acid,2-methyl-6-nitrophenylacetic acid,2-methyl-6-nitrophenyl acetic acid,2-methyl-6-nitro-phenylacetic acid,2-6-methyl-2-nitrophenyl acetic acid
InChI Key WFKNETIJXXWRHO-UHFFFAOYSA-N
Molecular Formula C9H9NO4
12

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
13

2-Bromo-4-nitrotoluene, 98%

CAS: 7745-93-9 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.034 MDL Number: MFCD00007195 InChI Key: XFZFJQHXWJIBQV-UHFFFAOYSA-N Synonym: 2-bromo-4-nitrotoluene,benzene, 2-bromo-1-methyl-4-nitro,3-bromo-4-methylnitrobenzene,toluene, 2-bromo-4-nitro,3-bromo-4-methyl nitrobenzene,1-bromo-2-methyl-5-nitrobenzene,2-bromo-1-methyl-4-nitro-benzene,pubchem3822,2-bromo-4nitrotoluene,2-bromo4-nitrotoluene PubChem CID: 82189 IUPAC Name: 2-bromo-1-methyl-4-nitrobenzene SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])Br

PubChem CID 82189
CAS 7745-93-9
Molecular Weight (g/mol) 216.034
MDL Number MFCD00007195
SMILES CC1=C(C=C(C=C1)[N+](=O)[O-])Br
Synonym 2-bromo-4-nitrotoluene,benzene, 2-bromo-1-methyl-4-nitro,3-bromo-4-methylnitrobenzene,toluene, 2-bromo-4-nitro,3-bromo-4-methyl nitrobenzene,1-bromo-2-methyl-5-nitrobenzene,2-bromo-1-methyl-4-nitro-benzene,pubchem3822,2-bromo-4nitrotoluene,2-bromo4-nitrotoluene
IUPAC Name 2-bromo-1-methyl-4-nitrobenzene
InChI Key XFZFJQHXWJIBQV-UHFFFAOYSA-N
Molecular Formula C7H6BrNO2
14

2-Methyl-6-nitroaniline, 98%

CAS: 570-24-1 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.153 MDL Number: MFCD00007744 InChI Key: FCMRHMPITHLLLA-UHFFFAOYSA-N Synonym: 6-nitro-o-toluidine,2-amino-3-nitrotoluene,benzenamine, 2-methyl-6-nitro,2-methyl-6-nitrobenzenamine,6-methyl-2-nitroaniline,1-amino-2-methyl-6-nitrobenzene,unii-oup165ykbc,3-nitro-2-aminotoluene,2-nitro-6-methylaniline,oup165ykbc PubChem CID: 11298 IUPAC Name: 2-methyl-6-nitroaniline SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])N

PubChem CID 11298
CAS 570-24-1
Molecular Weight (g/mol) 152.153
MDL Number MFCD00007744
SMILES CC1=C(C(=CC=C1)[N+](=O)[O-])N
Synonym 6-nitro-o-toluidine,2-amino-3-nitrotoluene,benzenamine, 2-methyl-6-nitro,2-methyl-6-nitrobenzenamine,6-methyl-2-nitroaniline,1-amino-2-methyl-6-nitrobenzene,unii-oup165ykbc,3-nitro-2-aminotoluene,2-nitro-6-methylaniline,oup165ykbc
IUPAC Name 2-methyl-6-nitroaniline
InChI Key FCMRHMPITHLLLA-UHFFFAOYSA-N
Molecular Formula C7H8N2O2
15

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-]

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