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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

Dinitrodurene, 97%, Thermo Scientific™

CAS: 5465-13-4 InChI Key: AEPQXGFMAZTUEA-UHFFFAOYSA-N Synonym: 1,2,4,5-tetramethyl-3,6-dinitro-benzene,dinitrotrodurene,3,2,4,5-tetramethylbenzene,2,3,5,6-tetramethyl-p-dinitrobenzene,1,4,5-tetramethyl-3,6-dinitrobenzene,benzene,2,4,5-tetramethyl-3,6-dinitro,1,4-dinitro-2,3,5,6-tetramethylbenzene 97+% PubChem CID: 79593 IUPAC Name: 1,2,4,5-tetramethyl-3,6-dinitrobenzene SMILES: CC1=C(C(=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-])C

PubChem CID 79593
CAS 5465-13-4
SMILES CC1=C(C(=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-])C
Synonym 1,2,4,5-tetramethyl-3,6-dinitro-benzene,dinitrotrodurene,3,2,4,5-tetramethylbenzene,2,3,5,6-tetramethyl-p-dinitrobenzene,1,4,5-tetramethyl-3,6-dinitrobenzene,benzene,2,4,5-tetramethyl-3,6-dinitro,1,4-dinitro-2,3,5,6-tetramethylbenzene 97+%
IUPAC Name 1,2,4,5-tetramethyl-3,6-dinitrobenzene
InChI Key AEPQXGFMAZTUEA-UHFFFAOYSA-N
4

2-Bromo-6-nitrotoluene, 98%, Thermo Scientific Chemicals

CAS: 55289-35-5 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.03 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) 216.03
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
5

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

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
6

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
7

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
8

2-Bromo-3-nitrotoluene, 98%, Thermo Scientific Chemicals

CAS: 41085-43-2 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.03 MDL Number: MFCD00134555 InChI Key: GCAAVRIWNMTOKB-UHFFFAOYSA-N Synonym: 2-bromo-3-nitrotoluene,2-bromo-3-methylnitrobenzen,2-bromo-3-methylnitrobenzene,benzene, 2-bromo-1-methyl-3-nitro,2-bromo-1-methyl-3-nitro-benzene,2-brom-1-methyl-3-nitrobenzol,pubchem4531,acmc-1ajt4,ksc493s8t PubChem CID: 231828 IUPAC Name: 2-bromo-1-methyl-3-nitrobenzene SMILES: CC1=CC=CC(=C1Br)[N+]([O-])=O

PubChem CID 231828
CAS 41085-43-2
Molecular Weight (g/mol) 216.03
MDL Number MFCD00134555
SMILES CC1=CC=CC(=C1Br)[N+]([O-])=O
Synonym 2-bromo-3-nitrotoluene,2-bromo-3-methylnitrobenzen,2-bromo-3-methylnitrobenzene,benzene, 2-bromo-1-methyl-3-nitro,2-bromo-1-methyl-3-nitro-benzene,2-brom-1-methyl-3-nitrobenzol,pubchem4531,acmc-1ajt4,ksc493s8t
IUPAC Name 2-bromo-1-methyl-3-nitrobenzene
InChI Key GCAAVRIWNMTOKB-UHFFFAOYSA-N
Molecular Formula C7H6BrNO2
9

4-Bromo-2-nitrotoluene, 98%, Thermo Scientific™

CAS: 60956-26-5 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.03 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) 216.03
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
10

2-Methyl-5-nitroaniline, 96%, Thermo Scientific™

CAS: 99-55-8 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00007741 InChI Key: DSBIJCMXAIKKKI-UHFFFAOYSA-N Synonym: 2-amino-4-nitrotoluene,5-nitro-o-toluidine,fast scarlet g,pnot,scarlet g base,2-methyl-5-nitrobenzenamine,4-nitro-2-aminotoluene,devol scarlet b,diabase scarlet g,scarlet base nsp PubChem CID: 7444 ChEBI: CHEBI:66891 IUPAC Name: 2-methyl-5-nitroaniline SMILES: CC1=CC=C(C=C1N)[N+]([O-])=O

PubChem CID 7444
CAS 99-55-8
Molecular Weight (g/mol) 152.15
ChEBI CHEBI:66891
MDL Number MFCD00007741
SMILES CC1=CC=C(C=C1N)[N+]([O-])=O
Synonym 2-amino-4-nitrotoluene,5-nitro-o-toluidine,fast scarlet g,pnot,scarlet g base,2-methyl-5-nitrobenzenamine,4-nitro-2-aminotoluene,devol scarlet b,diabase scarlet g,scarlet base nsp
IUPAC Name 2-methyl-5-nitroaniline
InChI Key DSBIJCMXAIKKKI-UHFFFAOYSA-N
Molecular Formula C7H8N2O2
11

4-Fluoro-2-nitrotoluene, 98%, Thermo Scientific™

CAS: 446-10-6 Molecular Formula: C7H6FNO2 Molecular Weight (g/mol): 155.13 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-]

PubChem CID 67965
CAS 446-10-6
Molecular Weight (g/mol) 155.13
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
12

2-Methyl-5-nitrophenylboronic acid pinacol ester, 97%, Thermo Scientific™

CAS: 957062-84-9 Molecular Formula: C13H18BNO4 Molecular Weight (g/mol): 263.1 InChI Key: LYFUUPOOXAXEEP-UHFFFAOYSA-N Synonym: 4,4,5,5-tetramethyl-2-2-methyl-5-nitrophenyl-1,3,2-dioxaborolane,2-methyl-5-nitrophenylboronic acid pinacol ester,2-methyl-5-nitrophenylboronic acid, pinacol ester,2-methyl-5-nitrophenyl boric acid pinacol ester,3-hydroxy-2,3-dimethylbutan-2-yl hydrogen 2-methyl-5-nitrophenylboronate,pubchem18757,2-methyl-5-nitrophenylboronicacidpinacolester,2-methyl-5-nitrobenzeneboronic acid, pinacol ester,4,4,5,5-tetramethyl-2-2-methyl-5-nitro-phenyl-1,3,2-dioxaborolane,1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-2-methyl-5-nitrophenyl PubChem CID: 17750269 IUPAC Name: 4,4,5,5-tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)[N+](=O)[O-])C

PubChem CID 17750269
CAS 957062-84-9
Molecular Weight (g/mol) 263.1
SMILES B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)[N+](=O)[O-])C
Synonym 4,4,5,5-tetramethyl-2-2-methyl-5-nitrophenyl-1,3,2-dioxaborolane,2-methyl-5-nitrophenylboronic acid pinacol ester,2-methyl-5-nitrophenylboronic acid, pinacol ester,2-methyl-5-nitrophenyl boric acid pinacol ester,3-hydroxy-2,3-dimethylbutan-2-yl hydrogen 2-methyl-5-nitrophenylboronate,pubchem18757,2-methyl-5-nitrophenylboronicacidpinacolester,2-methyl-5-nitrobenzeneboronic acid, pinacol ester,4,4,5,5-tetramethyl-2-2-methyl-5-nitro-phenyl-1,3,2-dioxaborolane,1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-2-methyl-5-nitrophenyl
IUPAC Name 4,4,5,5-tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane
InChI Key LYFUUPOOXAXEEP-UHFFFAOYSA-N
Molecular Formula C13H18BNO4