109-75-1
Product Name:
3-Butenenitrile
Formula:
C4H5N
Synonyms:
3-Butenenitrile;3-Butenenitrile, Vinylacetonitrile;Allyl cyanide;Vinylacetonitrile
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid with an odor like onions; [Merck Index] |
|---|---|
| Melting Point | -87 °C |
| Vapor Pressure | 18.5 [mmHg] |
| LogP | 0.40 |
| Kovats Retention Index | 625.2 |
| 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 H312:Acute toxicity,dermal H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. 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 | 67.09 g/mol |
|---|---|
| XLogP3 | 0.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 67.042199164 g/mol |
| Monoisotopic Mass | 67.042199164 g/mol |
| Topological Polar Surface Area | 23.8 Ų |
| Heavy Atom Count | 5 |
| Formal Charge | 0 |
| Complexity | 65 |
| 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
Allyl cyanide is an aliphatic nitrile that is hydrogen cyanide in which the hydrogen has been replaced by an allyl group. It has a role as a neurotoxin, a plant metabolite and an antifeedant. It is an aliphatic nitrile and an olefinic compound.