3-Butenenitrile

3-Butenenitrile Basic information

Product Name:	3-Butenenitrile
Synonyms:	Allylcyanid;Allylkyanid;beta-Butenonitrile;-Butenonitrile;CH2=CHCH2CN;Propene-3-nitrile;TL 350;tl350
CAS:	109-75-1
MF:	C4H5N
MW:	67.09
EINECS:	203-701-1
Product Categories:	Small molecule
Mol File:	109-75-1.mol

3-Butenenitrile Chemical Properties

Melting point	-87°C
Boiling point	116-121 °C(lit.)
density	0.834 g/mL at 25 °C(lit.)
refractive index	n20/D 1.406
Fp	75 °F
storage temp.	Store at +2°C to +8°C.
solubility	soluble in Chloroform, Ethyl Acetate
form	Liquid
color	Colorless to pale brown
Specific Gravity	0.834
Odor	onion odor
Water Solubility	Not miscible in water.
Merck	14,290
BRN	605352
Exposure limits	NIOSH: IDLH 25 mg/m3
CAS DataBase Reference	109-75-1(CAS DataBase Reference)
NIST Chemistry Reference	3-Butenenitrile(109-75-1)
EPA Substance Registry System	3-Butenenitrile (109-75-1)

Safety Information

Hazard Codes	T
Risk Statements	10-21-23/25-36/38
Safety Statements	26-36/37/39-45
RIDADR	UN 1992 3/PG 3
WGK Germany	3
RTECS	EM8050000
F	10
Autoignition Temperature	851 °F
TSCA	Yes
HS Code	2926 90 70
HazardClass	3
PackingGroup	III
Toxicity	LD50 orally in rats: 0.115 g/kg (Smyth)

MSDS Information

Provider	Language
Vinylacetonitrile	English
SigmaAldrich	English
ALFA	English

3-Butenenitrile Usage And Synthesis

Chemical Properties	clear colourless to yellow liquid. It has the smell of green onion and is extremely poisonous. Soluble in alcohol and ether, very slightly soluble in water.
Uses	Allyl cyanide is used as an anti-microbial. It is also used as pharmaceutical intermediates.
Application	Allyl cyanide is a substance whose toxicity originates through cyanide liberation. Allyl cyanide is also a degradation product of allyl isothiocyanate, a natural compound found in plants that have been shown to exhibit strong antimicrobial activity.
Preparation	3-Butenenitrile is synthesized by the reaction of allyl bromide and cuprous cyanide.
Definition	ChEBI: 3-Butenenitrile is an aliphatic nitrile that is hydrogen cyanide in which the hydrogen has been replaced by an allyl group.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.
Synthesis Reference(s)	Synthesis and Some Derivatives of 3-Butenenitrile https://pubs.acs.org/doi/10.1021/jo01069a028

3-Butenenitrile Preparation Products And Raw materials

Raw materials	Copper(I) Cyanide-->Allyl bromide-->2-Butenaloxime-->3-butenal
Preparation Products	Diallylamine-->9-Decenoic acid, methyl ester-->ACETIC ACID 1-CYANO-2-PROPENYL ESTER-->1,4-DICYANO-2-BUTENE-->cyanoacetaldehyde-->4-(Methylthio)butanenitrile-->Crotononitrile (pract)-->ETHYLENE-->4-Pentenenitrile, 2-ethenyl--->4-(tert-butoxy)butanenitrile

2-Butenenitrile,4-(2-methoxyphenyl)-3-methyl-(9CI) Polybutene 3-[[6-CHLORO-3-PYRIDINOYL METHYL]METHYLAMINO]-2-BUTENENITRILE 4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-butenenitrile 2-Butenenitrile, 2-acetyl-3-(methylamino)-, (Z)- (9CI) 2-Butenenitrile,4-(3-methoxyphenyl)-3-methyl-(9CI) 1-Cyclohexene-1-acetonitrile 2-METHYL-2-BUTENENITRILE 70+% 2-Butenenitrile, 2-(ethylthio)-3-hydroxy- (9CI) 2-Butenenitrile, mixture of cis and trans,CIS/TRANS-2-BUTENENITRILE,2-BUTENENITRILE,(2E)-2-Butenenitrile Sodium allylsulfonate 3-Butenenitrile 1-CYCLOPENTENYLACETONITRILE 1-Phenyl-2-nitropropene Ethyl N-cyanoethanimideate 2-AMINO-1-PROPENE-1,1,3-TRICARBONITRILE Cyanide Allyl hexanoate

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