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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
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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
2

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

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
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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
4
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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
5
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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
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2-Methyl-3-nitroaniline, 97%

CAS: 603-83-8 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00007731 InChI Key: HFCFJYRLBAANKN-UHFFFAOYSA-N Synonym: 2-amino-6-nitrotoluene,3-nitro-o-toluidine,benzenamine, 2-methyl-3-nitro,o-toluidine, 3-nitro,2-methyl-3-nitro-aniline,1-amino-2-methyl-3-nitrobenzene,2-nitro-6-aminotoluene,2-methyl-3-nitrobenzenamine,2-methyl-3-nitro-phenylamine,2-methyl-3-nitrophenyl amine PubChem CID: 11783 IUPAC Name: 2-methyl-3-nitroaniline SMILES: CC1=C(N)C=CC=C1[N+]([O-])=O

PubChem CID 11783
CAS 603-83-8
Molecular Weight (g/mol) 152.15
MDL Number MFCD00007731
SMILES CC1=C(N)C=CC=C1[N+]([O-])=O
Synonym 2-amino-6-nitrotoluene,3-nitro-o-toluidine,benzenamine, 2-methyl-3-nitro,o-toluidine, 3-nitro,2-methyl-3-nitro-aniline,1-amino-2-methyl-3-nitrobenzene,2-nitro-6-aminotoluene,2-methyl-3-nitrobenzenamine,2-methyl-3-nitro-phenylamine,2-methyl-3-nitrophenyl amine
IUPAC Name 2-methyl-3-nitroaniline
InChI Key HFCFJYRLBAANKN-UHFFFAOYSA-N
Molecular Formula C7H8N2O2
7
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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
8
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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
9
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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
10
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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
11
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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
12
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4-Chloro-2-methyl-6-nitroaniline, 97%, Thermo Scientific™

CAS: 62790-50-5 Molecular Formula: C7H7ClN2O2 Molecular Weight (g/mol): 186.60 MDL Number: MFCD01320687 InChI Key: QDSCDFKGUAONPC-UHFFFAOYSA-N Synonym: 4-chloro-2-methyl-6-nitrophenylamine,acmc-1b9ic,2-amino-5-chloro-3-nitrotoluene,2-methyl-4-chloro-6-nitroaniline,4-chloro-2-methyl-6-nitrobenzenamine,2-amino-5-chloro-3-methylnitrobenzene,benzenamine,4-chloro-2-methyl-6-nitro,benzenamine, 4-chloro-2-methyl-6-nitro 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
Synonym 4-chloro-2-methyl-6-nitrophenylamine,acmc-1b9ic,2-amino-5-chloro-3-nitrotoluene,2-methyl-4-chloro-6-nitroaniline,4-chloro-2-methyl-6-nitrobenzenamine,2-amino-5-chloro-3-methylnitrobenzene,benzenamine,4-chloro-2-methyl-6-nitro,benzenamine, 4-chloro-2-methyl-6-nitro
IUPAC Name 4-chloro-2-methyl-6-nitroaniline
InChI Key QDSCDFKGUAONPC-UHFFFAOYSA-N
Molecular Formula C7H7ClN2O2
13
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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
14
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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
15
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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