CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | 3-pentenenitrile, [liquid] appears as a clear colorless to amber liquid. Less dense than water. Flash point 104 °F. Boiling point 296 °F. Generally stable and not liable to polymerization. May be toxic by skin absorption, inhalation or ingestion. Prolonged exposure may result in delayed cyanide poisoning. Avoid direct contact with vapors, mists or liquid. May produce cyanide gas and carbon monoxide during combustion. Used in the manufacture of various organic chemicals. |
|---|---|
| Boiling Point | 291 to 297 °F at 760 mmHg (NTP, 1992) |
| Flash Point | 101 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| Density | 0.83 at 39 °F (NTP, 1992) - Less dense than water; will float |
| Vapor Pressure | 1 mmHg at 106 °F ; 5 mmHg at 122 °F; 40 mmHg at 158 °F (NTP, 1992) |
| Chemical Classes | Nitrogen Compounds -> Nitriles |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H226:Flammable liquids H302:Acute toxicity,oral H331:Acute toxicity,inhalation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
COMPUTED DESCRIPTORS
| Molecular Weight | 81.12 g/mol |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 81.057849228 g/mol |
| Monoisotopic Mass | 81.057849228 g/mol |
| Topological Polar Surface Area | 23.8 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 83.4 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-pentenenitrile, [liquid] appears as a clear colorless to amber liquid. Less dense than water. Flash point 104 °F. Boiling point 296 °F. Generally stable and not liable to polymerization. May be toxic by skin absorption, inhalation or ingestion. Prolonged exposure may result in delayed cyanide poisoning. Avoid direct contact with vapors, mists or liquid. May produce cyanide gas and carbon monoxide during combustion. Used in the manufacture of various organic chemicals.