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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
2

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
3

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
4

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
5

4-Methyl-3-nitrobenzenesulfonyl chloride, 95%, Thermo Scientific Chemicals

CAS: 616-83-1 Molecular Formula: C7H6ClNO4S Molecular Weight (g/mol): 235.638 MDL Number: MFCD00129811 InChI Key: OQFYBGANSUNUAO-UHFFFAOYSA-N Synonym: 4-methyl-3-nitrobenzene-1-sulfonyl chloride,2-nitrotoluene-4-sulfonyl chloride,4-methyl-3-nitro-benzenesulfonyl chloride,4-methyl-3-nitrobenzenesulfonylchloride,chloro 4-methyl-3-nitrophenyl sulfone,4-methyl-3-nitrobenzolsulfonylchlorid,pubchem5674,acmc-1awd3,3-nitro-p-toluenesulfonyl chloride,3-nitro-4-methyl phenylsulfonyl chloride PubChem CID: 560638 IUPAC Name: 4-methyl-3-nitrobenzenesulfonyl chloride SMILES: CC1=C(C=C(C=C1)S(=O)(=O)Cl)[N+](=O)[O-]

PubChem CID 560638
CAS 616-83-1
Molecular Weight (g/mol) 235.638
MDL Number MFCD00129811
SMILES CC1=C(C=C(C=C1)S(=O)(=O)Cl)[N+](=O)[O-]
Synonym 4-methyl-3-nitrobenzene-1-sulfonyl chloride,2-nitrotoluene-4-sulfonyl chloride,4-methyl-3-nitro-benzenesulfonyl chloride,4-methyl-3-nitrobenzenesulfonylchloride,chloro 4-methyl-3-nitrophenyl sulfone,4-methyl-3-nitrobenzolsulfonylchlorid,pubchem5674,acmc-1awd3,3-nitro-p-toluenesulfonyl chloride,3-nitro-4-methyl phenylsulfonyl chloride
IUPAC Name 4-methyl-3-nitrobenzenesulfonyl chloride
InChI Key OQFYBGANSUNUAO-UHFFFAOYSA-N
Molecular Formula C7H6ClNO4S
6

1,3-Dichloro-2-methyl-5-nitrobenzene, 95%, Thermo Scientific™

CAS: 7149-69-1 Molecular Formula: C7H5Cl2NO2 Molecular Weight (g/mol): 206.022 MDL Number: MFCD00174267 InChI Key: RUVCGWLHTVGNGI-UHFFFAOYSA-N Synonym: 2,6-dichloro-4-nitrotoluene,1,3-dichloro-2-methyl-5-nitro-benzene,benzene, 1,3-dichloro-2-methyl-5-nitro,pubchem9506,maybridge1_005049,ksc496m1j PubChem CID: 251670 IUPAC Name: 1,3-dichloro-2-methyl-5-nitrobenzene SMILES: CC1=C(C=C(C=C1Cl)[N+](=O)[O-])Cl

PubChem CID 251670
CAS 7149-69-1
Molecular Weight (g/mol) 206.022
MDL Number MFCD00174267
SMILES CC1=C(C=C(C=C1Cl)[N+](=O)[O-])Cl
Synonym 2,6-dichloro-4-nitrotoluene,1,3-dichloro-2-methyl-5-nitro-benzene,benzene, 1,3-dichloro-2-methyl-5-nitro,pubchem9506,maybridge1_005049,ksc496m1j
IUPAC Name 1,3-dichloro-2-methyl-5-nitrobenzene
InChI Key RUVCGWLHTVGNGI-UHFFFAOYSA-N
Molecular Formula C7H5Cl2NO2
7

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
9

2-Nitromesitylene, 99%, Thermo Scientific™

CAS: 603-71-4 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 InChI Key: SCEKDQTVGHRSNS-UHFFFAOYSA-N Synonym: 2-nitromesitylene,nitromesitylene,mononitromesitylene,mesitylene, 2-nitro,benzene, 1,3,5-trimethyl-2-nitro,2,4,6-trimethylnitrobenzene,2,4,6-trimethyl-1-nitrobenzene,benzene,1,3,5-trimethyl-2-nitro,1,3,5-trimethyl-2-nitro-benzene,2,6-trimethylnitrobenzene PubChem CID: 69051 IUPAC Name: 1,3,5-trimethyl-2-nitrobenzene SMILES: CC1=CC(=C(C(=C1)C)[N+](=O)[O-])C

PubChem CID 69051
CAS 603-71-4
Molecular Weight (g/mol) 165.19
SMILES CC1=CC(=C(C(=C1)C)[N+](=O)[O-])C
Synonym 2-nitromesitylene,nitromesitylene,mononitromesitylene,mesitylene, 2-nitro,benzene, 1,3,5-trimethyl-2-nitro,2,4,6-trimethylnitrobenzene,2,4,6-trimethyl-1-nitrobenzene,benzene,1,3,5-trimethyl-2-nitro,1,3,5-trimethyl-2-nitro-benzene,2,6-trimethylnitrobenzene
IUPAC Name 1,3,5-trimethyl-2-nitrobenzene
InChI Key SCEKDQTVGHRSNS-UHFFFAOYSA-N
Molecular Formula C9H11NO2
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-Methyl-3-nitrobenzonitrile, 98%, Thermo Scientific™

CAS: 939-79-7 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.148 MDL Number: MFCD00031482 InChI Key: KOFBNBCOGKLUOM-UHFFFAOYSA-N Synonym: 3-nitro-4-methylbenzonitrile,3-nitro-p-tolunitrile,4-methyl-3-nitro-benzonitrile,benzonitrile, 4-methyl-3-nitro,4-cyano-2-nitrotoluene,4-methyl-3-nitrobenzenecarbonitrile,5-cyano-2-methylnitrobenzene,2-nitro-p-toluonitrile,pubchem4817,acmc-209gtb PubChem CID: 589333 IUPAC Name: 4-methyl-3-nitrobenzonitrile SMILES: CC1=C(C=C(C=C1)C#N)[N+](=O)[O-]

PubChem CID 589333
CAS 939-79-7
Molecular Weight (g/mol) 162.148
MDL Number MFCD00031482
SMILES CC1=C(C=C(C=C1)C#N)[N+](=O)[O-]
Synonym 3-nitro-4-methylbenzonitrile,3-nitro-p-tolunitrile,4-methyl-3-nitro-benzonitrile,benzonitrile, 4-methyl-3-nitro,4-cyano-2-nitrotoluene,4-methyl-3-nitrobenzenecarbonitrile,5-cyano-2-methylnitrobenzene,2-nitro-p-toluonitrile,pubchem4817,acmc-209gtb
IUPAC Name 4-methyl-3-nitrobenzonitrile
InChI Key KOFBNBCOGKLUOM-UHFFFAOYSA-N
Molecular Formula C8H6N2O2
12

4-Methyl-3-nitrobenzonitrile, 97%, Thermo Scientific™

CAS: 939-79-7 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.15 InChI Key: KOFBNBCOGKLUOM-UHFFFAOYSA-N Synonym: 3-nitro-4-methylbenzonitrile,3-nitro-p-tolunitrile,4-methyl-3-nitro-benzonitrile,benzonitrile, 4-methyl-3-nitro,4-cyano-2-nitrotoluene,4-methyl-3-nitrobenzenecarbonitrile,5-cyano-2-methylnitrobenzene,2-nitro-p-toluonitrile,pubchem4817,acmc-209gtb PubChem CID: 589333 IUPAC Name: 4-methyl-3-nitrobenzonitrile SMILES: CC1=C(C=C(C=C1)C#N)[N+](=O)[O-]

PubChem CID 589333
CAS 939-79-7
Molecular Weight (g/mol) 162.15
SMILES CC1=C(C=C(C=C1)C#N)[N+](=O)[O-]
Synonym 3-nitro-4-methylbenzonitrile,3-nitro-p-tolunitrile,4-methyl-3-nitro-benzonitrile,benzonitrile, 4-methyl-3-nitro,4-cyano-2-nitrotoluene,4-methyl-3-nitrobenzenecarbonitrile,5-cyano-2-methylnitrobenzene,2-nitro-p-toluonitrile,pubchem4817,acmc-209gtb
IUPAC Name 4-methyl-3-nitrobenzonitrile
InChI Key KOFBNBCOGKLUOM-UHFFFAOYSA-N
Molecular Formula C8H6N2O2
13

2-Chloro-5-nitrotoluene, 98+%, Thermo Scientific™

CAS: 13290-74-9 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00041430 InChI Key: BGDCQZFFNFXYQC-UHFFFAOYSA-N Synonym: 2-chloro-5-nitrotoluene,benzene, 1-chloro-2-methyl-4-nitro,4-chloro-3-methylnitrobenzene,1-chloro-2-methyl-4-nitro-benzene,3-nitro-6-chlorotoluene,2-methyl-4-nitrochlorobenzene,pubchem2137,2-chloro-5-nitroluene,acmc-209bqf,5-nitro-2-chlorotoluene PubChem CID: 83315 IUPAC Name: 1-chloro-2-methyl-4-nitrobenzene SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])Cl

PubChem CID 83315
CAS 13290-74-9
Molecular Weight (g/mol) 171.58
MDL Number MFCD00041430
SMILES CC1=C(C=CC(=C1)[N+](=O)[O-])Cl
Synonym 2-chloro-5-nitrotoluene,benzene, 1-chloro-2-methyl-4-nitro,4-chloro-3-methylnitrobenzene,1-chloro-2-methyl-4-nitro-benzene,3-nitro-6-chlorotoluene,2-methyl-4-nitrochlorobenzene,pubchem2137,2-chloro-5-nitroluene,acmc-209bqf,5-nitro-2-chlorotoluene
IUPAC Name 1-chloro-2-methyl-4-nitrobenzene
InChI Key BGDCQZFFNFXYQC-UHFFFAOYSA-N
Molecular Formula C7H6ClNO2
14

2-Chloro-6-nitrotoluene, 98+%, Thermo Scientific™

CAS: 83-42-1 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007205 InChI Key: XCSNRORTQRKCHB-UHFFFAOYSA-N Synonym: 2-chloro-6-nitrotoluene,6-chloro-2-nitrotoluene,benzene, 1-chloro-2-methyl-3-nitro,toluene, 2-chloro-6-nitro,3-chloro-2-methylnitrobenzene,caswell no. 202,unii-wez013857x,epa pesticide chemical code 019001,chloro-o-nitrotoluene,pubchem14277 PubChem CID: 6740 IUPAC Name: 1-chloro-2-methyl-3-nitrobenzene SMILES: CC1=C(Cl)C=CC=C1[N+]([O-])=O

PubChem CID 6740
CAS 83-42-1
Molecular Weight (g/mol) 171.58
MDL Number MFCD00007205
SMILES CC1=C(Cl)C=CC=C1[N+]([O-])=O
Synonym 2-chloro-6-nitrotoluene,6-chloro-2-nitrotoluene,benzene, 1-chloro-2-methyl-3-nitro,toluene, 2-chloro-6-nitro,3-chloro-2-methylnitrobenzene,caswell no. 202,unii-wez013857x,epa pesticide chemical code 019001,chloro-o-nitrotoluene,pubchem14277
IUPAC Name 1-chloro-2-methyl-3-nitrobenzene
InChI Key XCSNRORTQRKCHB-UHFFFAOYSA-N
Molecular Formula C7H6ClNO2
15

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

CAS: 446-10-6 Molecular Formula: C7H6FNO2 Molecular Weight (g/mol): 155.128 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) 155.128
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