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109-75-1

109-75-1 structural image
Product Name: 3-Butenenitrile
Formula: C4H5N
Synonyms: 3-Butenenitrile;3-Butenenitrile, Vinylacetonitrile;Allyl cyanide;Vinylacetonitrile
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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Allyl cyanide is an aliphatic nitrile that is hydrogen cyanide in which the hydrogen has been replaced by an allyl group.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.