ChemicalBook--->CAS DataBase List--->109-75-1

109-75-1

109-75-1 Structure

109-75-1 Structure
IdentificationMore
[Name]

3-Butenenitrile
[CAS]

109-75-1
[Synonyms]

3-BUTENENITRILE
ALLYL CYANIDE
VINYLACETONITRILE
1-Butene-3-nitrile
1-Butene-4-nitrile
1-Propene-3-nitrile
2-Propenylcyanide
3-Butennitril
3-Butenonitrile
3-Butenylnitrile
3-Cyano-1-propene
3-Cyanopropene
Acetonitrile, vinyl-
Allylcyanid
Allylkyanid
Allylnitrile
beta-Butenonitrile
but-3-enenitrile
-Butenonitrile
CH2=CHCH2CN
[EINECS(EC#)]

203-701-1
[Molecular Formula]

C4H5N
[MDL Number]

MFCD00001962
[Molecular Weight]

67.09
[MOL File]

109-75-1.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR COLOURLESS TO YELLOW LIQUID
[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]

109-75-1(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

R10:Flammable.
R21:Harmful in contact with skin.
R23/25:Toxic by inhalation and if swallowed .
R36/38:Irritating to eyes and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 1992 3/PG 3
[WGK Germany ]

3
[RTECS ]

EM8050000
[F ]

10
[Autoignition Temperature]

851 °F
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29269090
[Toxicity]

LD50 orally in rats: 0.115 g/kg (Smyth)
Raw materials And Preparation ProductsBack Directory
[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
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Vinylacetonitrile(109-75-1).msds
Hazard InformationBack Directory
[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.
[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.
[Preparation]

3-Butenenitrile is synthesized by the reaction of allyl bromide and cuprous cyanide.
[Synthesis Reference(s)]

Synthesis and Some Derivatives of 3-Butenenitrile
https://pubs.acs.org/doi/10.1021/jo01069a028
Spectrum DetailBack Directory
[Spectrum Detail]

3-Butenenitrile(109-75-1)MS
3-Butenenitrile(109-75-1)1HNMR
3-Butenenitrile(109-75-1)13CNMR
3-Butenenitrile(109-75-1)IR1
3-Butenenitrile(109-75-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Allyl cyanide, 90+%(109-75-1)
[Sigma Aldrich]

109-75-1(sigmaaldrich)
[TCI AMERICA]

Allyl Cyanide,>92.0%(GC)(109-75-1)
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