CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Crystals or off-white lumpy solid. (NTP, 1992) |
|---|---|
| Color/Form | MONOCLINIC CRYSTALS FROM METHANOL, ETHYL ACETATE, BENZENE |
| Boiling Point | 657 to 658 °F at 760 mmHg ; 383-401 °F at 10-22 mmHg (NTP, 1992) |
| Melting Point | 261 °F (NTP, 1992) |
| Flash Point | 180 °C |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Density | 0.774 at 32 °F (NTP, 1992) - Less dense than water; will float |
| Vapor Pressure | 0.000392 [mmHg] |
| LogP | log Kow= 5.74 |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| Ionization Potential | 7.60 eV |
| Ionization Efficiency | Positive |
| Refractive Index | Index of refraction= 1.353 @ 16 °C/D |
| Kovats Retention Index | 2055 2055 |
| Chemical Classes | Nitrogen Compounds -> Amines, Polyaromatic |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
COMPUTED DESCRIPTORS
| Molecular Weight | 245.3 g/mol |
|---|---|
| XLogP3 | 5.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 245.120449483 g/mol |
| Monoisotopic Mass | 245.120449483 g/mol |
| Topological Polar Surface Area | 3.2 Ų |
| Heavy Atom Count | 19 |
| 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 |
PRODUCT INTRODUCTION
description
Crystals or off-white lumpy solid. (NTP, 1992)