CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid; [DOD] Yellow powder; [AccuStandard MSDS] |
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Vapor Pressure | 0.00004 [mmHg] |
Kovats Retention Index | 330.74 |
Chemical Classes | Nitrogen Compounds -> Nitros, Aromatic |
SAFETY INFORMATION
Signal word | Danger |
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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 |
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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.