CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Yellow solid; [Merck Index] Yellow crystals; [MSDSonline] |
|---|---|
| Color/Form | Yellow crystals from benzene |
| Boiling Point | 315 °C |
| Melting Point | 86-87 °C |
| Solubility | Moderately soluble in benzene, ether; soluble in alcohol. Practically insoluble in water. |
| Density | 1.6867 g/ml @ 16.5 °C |
| 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 |
H300:Acute toxicity,oral H310:Acute toxicity,dermal H330:Acute toxicity,inhalation H373:Specific target organ toxicity, repeated exposure H400:Hazardous to the aquatic environment, acute hazard H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P320:Specific treatment is urgent (see … on this label). P330:Rinse mouth. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P405:Store locked up. |
COMPUTED DESCRIPTORS
| Molecular Weight | 202.55 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 201.9781343 g/mol |
| Monoisotopic Mass | 201.9781343 g/mol |
| Topological Polar Surface Area | 91.6 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 202 |
| 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 |