CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Melting point = 36.5 deg C; [ChemIDplus] Colorless or yellow liquid; [Alfa Aesar MSDS] |
|---|---|
| Kovats Retention Index | 930 930 930 |
| Chemical Classes | Nitrogen Compounds -> Pyrazoles |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H314:Skin corrosion/irritation H361:Reproductive toxicity |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 82.10 g/mol |
|---|---|
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 82.053098200 g/mol |
| Monoisotopic Mass | 82.053098200 g/mol |
| Topological Polar Surface Area | 28.7 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 44.8 |
| 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 |