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] |
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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 |
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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 |
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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Allyl cyanide is an aliphatic nitrile that is hydrogen cyanide in which the hydrogen has been replaced by an allyl group.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.