CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Crystals |
|---|---|
| Boiling Point | 236.5 °C |
| Melting Point | 33 °C |
| Flash Point | 110.00 °C (230.00deg F) - closed cup |
| Solubility | Slightly soluble in carbon tetrachloride; soluble in chloroform, alkali; very soluble in ethanol, ether |
| LogP | log Kow = 2.63 |
| Ionization Efficiency | Negative |
| Dissociation Constants | pKa = 9.03 |
| Kovats Retention Index | 1256.1 1260 1262 1270 1312 1270 1255 1270 |
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. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 173.01 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 171.95238 g/mol |
| Monoisotopic Mass | 171.95238 g/mol |
| Topological Polar Surface Area | 20.2 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 74.9 |
| 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 |