| Identification | More | [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 Properties | Back 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 | [Henry's Law Constant]
2.0×10-1 mol/(m3Pa) at 25℃, Brockbank (2013) | [Exposure limits]
NIOSH: IDLH 25 mg/m3 | [InChI]
1S/C4H5N/c1-2-3-4-5/h2H,1,3H2 | [InChIKey]
SJNALLRHIVGIBI-UHFFFAOYSA-N | [SMILES]
C=CCC#N | [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 Data | Back 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 | [REACH Registrations]
Active | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29269090 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Acute Tox. 4 Dermal
Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2 | [Toxicity]
LD50 orally in rats: 0.115 g/kg (Smyth) |
| Hazard Information | Back 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 |
|
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
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| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
Jia Xing Isenchem Co.,Ltd
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| Telephone: |
0573-85285100 18627885956 |
| Website: |
https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm |
| Company Name: |
China Langchem Inc.
|
| Telephone: |
0086-21-58956006 |
| Website: |
www.chemicalbook.com/ShowSupplierProductsList19141/0_EN.htm |
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