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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 15 results
1

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
4

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
5

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
7

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
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
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
15

4-Methyl-3-nitrophenyl isocyanate, 96%, Thermo Scientific™

CAS: 13471-69-7 Molecular Formula: C8H6N2O3 Molecular Weight (g/mol): 178.147 MDL Number: MFCD00014698 InChI Key: OIORBBLUSMONPW-UHFFFAOYSA-N PubChem CID: 73137 IUPAC Name: 4-isocyanato-1-methyl-2-nitrobenzene SMILES: CC1=C(C=C(C=C1)N=C=O)[N+](=O)[O-]

PubChem CID 73137
CAS 13471-69-7
Molecular Weight (g/mol) 178.147
MDL Number MFCD00014698
SMILES CC1=C(C=C(C=C1)N=C=O)[N+](=O)[O-]
IUPAC Name 4-isocyanato-1-methyl-2-nitrobenzene
InChI Key OIORBBLUSMONPW-UHFFFAOYSA-N
Molecular Formula C8H6N2O3