CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Yellow crystalline solid; [Alfa Aesar MSDS] |
|---|---|
| Kovats Retention Index | 1624.1 |
| Chemical Classes | Nitrogen Compounds -> Nitros, Aromatic |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H301:Acute toxicity,oral |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P321:Specific treatment (see … on this label). P405:Store locked up. |
COMPUTED DESCRIPTORS
| Molecular Weight | 183.16 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 183.05315777 g/mol |
| Monoisotopic Mass | 183.05315777 g/mol |
| Topological Polar Surface Area | 64.3 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 180 |
| 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 |