CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Prisms |
|---|---|
| Melting Point | 75 °C |
| Solubility | Very soluble in benzene, ether, ethanol, chloroform |
| Vapor Pressure | 8.15X10-4 mm Hg at 25 °C /Estimated/ |
| LogP | log Kow = 2.43 |
| Henry's Law Constant | Henry's Law constant = 2.2X10-8 atm-cu m/mole at 25 °C /Estimated/ |
| Dissociation Constants | pKa = 2.49 (conjugate acid) |
| Kovats Retention Index | 1659 1670 |
| Other Experimental Properties | 7.31 MG/CU M= 1 PPM |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 179.22 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 179.094628657 g/mol |
| Monoisotopic Mass | 179.094628657 g/mol |
| Topological Polar Surface Area | 52.3 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 162 |
| 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 |