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35572-78-2

35572-78-2 structural image
Product Name: 2-AMINO-4,6-DINITROTOLUENE
Formula: C7H7N3O4
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid; [DOD] Yellow powder; [AccuStandard MSDS]
Vapor Pressure 0.00004 [mmHg]
Kovats Retention Index 330.74
Chemical Classes Nitrogen Compounds -> Nitros, Aromatic

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H373:Specific target organ toxicity, repeated exposure
H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P314:Get medical advice/attention if you feel unwell.

COMPUTED DESCRIPTORS

Molecular Weight 197.15 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 0
Exact Mass 197.04365571 g/mol
Monoisotopic Mass 197.04365571 g/mol
Topological Polar Surface Area 118 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 246
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

2-amino-4,6-dinitrotoluene is an amino-nitrotoluene that is 4,6-dinitrotoluene substituted at position 2 by an amino group. It has a role as an explosive and a fungal xenobiotic metabolite.