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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241 – 247 of 247 results

241

3-Fluoro-2-nitrotoluene, 96%, Thermo Scientific™

CAS: 3013-27-2 Molecular Formula: C7H6FNO2 Molecular Weight (g/mol): 155.128 MDL Number: MFCD08458093 InChI Key: JSXAJLMUBSEJFF-UHFFFAOYSA-N Synonym: 3-fluoro-2-nitrotoluene,1-fluoro-3-methyl-2-nitro-benzene,2-fluoro-6-methylnitrobenzene,benzene, 1-fluoro-3-methyl-2-nitro,fluoronitrotoluene,fluor-nitro-toluole,pubchem18581,2-nitro-3-fluorotoluene,ksc497k3l,3-methyl-2-nitrofluorobenzene PubChem CID: 19773803 IUPAC Name: 1-fluoro-3-methyl-2-nitrobenzene SMILES: CC1=C(C(=CC=C1)F)[N+](=O)[O-]

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Specifications

PubChem CID	19773803
CAS	3013-27-2
Molecular Weight (g/mol)	155.128
MDL Number	MFCD08458093
SMILES	CC1=C(C(=CC=C1)F)[N+](=O)[O-]
Synonym	3-fluoro-2-nitrotoluene,1-fluoro-3-methyl-2-nitro-benzene,2-fluoro-6-methylnitrobenzene,benzene, 1-fluoro-3-methyl-2-nitro,fluoronitrotoluene,fluor-nitro-toluole,pubchem18581,2-nitro-3-fluorotoluene,ksc497k3l,3-methyl-2-nitrofluorobenzene
IUPAC Name	1-fluoro-3-methyl-2-nitrobenzene
InChI Key	JSXAJLMUBSEJFF-UHFFFAOYSA-N
Molecular Formula	C7H6FNO2

242

4-Chloro-2-fluoro-5-nitrotoluene, 98%, Thermo Scientific™

CAS: 18349-11-6 Molecular Formula: C7H5ClFNO2 Molecular Weight (g/mol): 189.57 MDL Number: MFCD00134231 InChI Key: SJDPAVRCQNFVDM-UHFFFAOYSA-N PubChem CID: 87593 IUPAC Name: 1-chloro-5-fluoro-4-methyl-2-nitrobenzene SMILES: CC1=CC(=C(Cl)C=C1F)[N+]([O-])=O

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Specifications

PubChem CID	87593
CAS	18349-11-6
Molecular Weight (g/mol)	189.57
MDL Number	MFCD00134231
SMILES	CC1=CC(=C(Cl)C=C1F)[N+]([O-])=O
IUPAC Name	1-chloro-5-fluoro-4-methyl-2-nitrobenzene
InChI Key	SJDPAVRCQNFVDM-UHFFFAOYSA-N
Molecular Formula	C7H5ClFNO2

243

MP Biomedicals, Inc 1,3-Dimethyl-2-nitrobenzene, MP Biomedicals

CAS: 81-20-9 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 InChI Key: HDFQKJQEWGVKCQ-UHFFFAOYSA-N Synonym: 2-nitro-m-xylene,2,6-dimethylnitrobenzene,benzene, 1,3-dimethyl-2-nitro,2,6-dimethyl-1-nitrobenzene,m-xylene, 2-nitro,ccris 3119,1,3-dimethyl-2-nitro-benzene,dsstox_cid_5134,dsstox_rid_77678,dsstox_gsid_25134 PubChem CID: 6672 IUPAC Name: 1,3-dimethyl-2-nitrobenzene SMILES: CC1=C(C(=CC=C1)C)[N+](=O)[O-]

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Specifications

PubChem CID	6672
CAS	81-20-9
Molecular Weight (g/mol)	151.165
SMILES	CC1=C(C(=CC=C1)C)[N+](=O)[O-]
Synonym	2-nitro-m-xylene,2,6-dimethylnitrobenzene,benzene, 1,3-dimethyl-2-nitro,2,6-dimethyl-1-nitrobenzene,m-xylene, 2-nitro,ccris 3119,1,3-dimethyl-2-nitro-benzene,dsstox_cid_5134,dsstox_rid_77678,dsstox_gsid_25134
IUPAC Name	1,3-dimethyl-2-nitrobenzene
InChI Key	HDFQKJQEWGVKCQ-UHFFFAOYSA-N
Molecular Formula	C8H9NO2

244

MP Biomedicals, Inc 2,4,6-Trinitro-1-tert-butyl-3,5-dimethylbenzene, MP Biomedicals

CAS: 81-15-2 Molecular Formula: C12H15N3O6 Molecular Weight (g/mol): 297.267 InChI Key: XMWRWTSZNLOZFN-UHFFFAOYSA-N Synonym: musk xylene,musk xylol,xylene musk,2,4,6-trinitro-1,3-dimethyl-5-tert-butylbenzene,5-tert-butyl-2,4,6-trinitro-m-xylene,5-tert-butyl-2,4,6-trinitroxylene,2,4,6-trinitro-5-tert-butyl-m-xylene,m-xylene, 5-tert-butyl-2,4,6-trinitro,unii-1zao16gu5k,ccris 2391 PubChem CID: 62329 ChEBI: CHEBI:77320 IUPAC Name: 1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene SMILES: CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)[N+](=O)[O-]

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Specifications

PubChem CID	62329
CAS	81-15-2
Molecular Weight (g/mol)	297.267
ChEBI	CHEBI:77320
SMILES	CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)[N+](=O)[O-]
Synonym	musk xylene,musk xylol,xylene musk,2,4,6-trinitro-1,3-dimethyl-5-tert-butylbenzene,5-tert-butyl-2,4,6-trinitro-m-xylene,5-tert-butyl-2,4,6-trinitroxylene,2,4,6-trinitro-5-tert-butyl-m-xylene,m-xylene, 5-tert-butyl-2,4,6-trinitro,unii-1zao16gu5k,ccris 2391
IUPAC Name	1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene
InChI Key	XMWRWTSZNLOZFN-UHFFFAOYSA-N
Molecular Formula	C12H15N3O6

245

2-Methyl-6-nitrobenzonitrile 98.0+%, TCI America™

CAS: 1885-76-3 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.148 MDL Number: MFCD00007266 InChI Key: BOTPDHNZLRJZOO-UHFFFAOYSA-N Synonym: 6-Nitro-o-tolunitrile PubChem CID: 74669 IUPAC Name: 2-methyl-6-nitrobenzonitrile SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])C#N

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Specifications

PubChem CID	74669
CAS	1885-76-3
Molecular Weight (g/mol)	162.148
MDL Number	MFCD00007266
SMILES	CC1=C(C(=CC=C1)[N+](=O)[O-])C#N
Synonym	6-Nitro-o-tolunitrile
IUPAC Name	2-methyl-6-nitrobenzonitrile
InChI Key	BOTPDHNZLRJZOO-UHFFFAOYSA-N
Molecular Formula	C8H6N2O2

246

5-[4-(3,5-Dimethyl-4-nitrostyryl)benzamido]-2-(6-hydroxy-3-oxo-3H-xanthene-9-yl)benzoic Acid Monohydrate 90.0+%, TCI America™

CAS: 1160555-05-4 Molecular Formula: C37H26N2O8 Molecular Weight (g/mol): 626.621 InChI Key: UQQWUXKLZVVNDR-ONEGZZNKSA-N Synonym: 4-[4-(3,5-Dimethyl-4-nitrostyryl)benzamido]fluorescein, Flu-DNB PubChem CID: 101858728 IUPAC Name: 5-[[4-[(E)-2-(3,5-dimethyl-4-nitrophenyl)ethenyl]benzoyl]amino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid SMILES: CC1=CC(=CC(=C1[N+](=O)[O-])C)C=CC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)C4=C5C=CC(=O)C=C5OC6=C4C=CC(=C6)O)C(=O)O

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Specifications

PubChem CID	101858728
CAS	1160555-05-4
Molecular Weight (g/mol)	626.621
SMILES	CC1=CC(=CC(=C1[N+](=O)[O-])C)C=CC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)C4=C5C=CC(=O)C=C5OC6=C4C=CC(=C6)O)C(=O)O
Synonym	4-[4-(3,5-Dimethyl-4-nitrostyryl)benzamido]fluorescein, Flu-DNB
IUPAC Name	5-[[4-[(E)-2-(3,5-dimethyl-4-nitrophenyl)ethenyl]benzoyl]amino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
InChI Key	UQQWUXKLZVVNDR-ONEGZZNKSA-N
Molecular Formula	C37H26N2O8

247

2-Methyl-6-nitrobenzoyl Chloride 98.0+%, TCI America™

CAS: 66232-57-3 Molecular Formula: C8H6ClNO3 Molecular Weight (g/mol): 199.59 MDL Number: MFCD06797116 InChI Key: ZMAJSTDJAIVHGZ-UHFFFAOYSA-N Synonym: 6-Nitro-o-toluoyl Chloride PubChem CID: 12819896 IUPAC Name: 2-methyl-6-nitrobenzoyl chloride SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)Cl

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Specifications

PubChem CID	12819896
CAS	66232-57-3
Molecular Weight (g/mol)	199.59
MDL Number	MFCD06797116
SMILES	CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)Cl
Synonym	6-Nitro-o-toluoyl Chloride
IUPAC Name	2-methyl-6-nitrobenzoyl chloride
InChI Key	ZMAJSTDJAIVHGZ-UHFFFAOYSA-N
Molecular Formula	C8H6ClNO3

Nitrotoluenes

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