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| | 3-Butenenitrile Basic information |
| Product Name: | 3-Butenenitrile | | Synonyms: | Allylcyanid;Allylkyanid;Allylnitrile;beta-Butenonitrile;but-3-enenitrile;-Butenonitrile;CH2=CHCH2CN;Propene-3-nitrile | | 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 | | Specific Gravity | 0.834 | | color | Colorless to pale brown | | Odor | onion odor | | Water Solubility | Not miscible in water. | | Merck | 14,290 | | BRN | 605352 | | 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 | 3-Butenenitrile (109-75-1) |
| 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 | TSCA listed | | HS Code | 2926 90 70 | | HazardClass | 3 | | PackingGroup | III | | 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) |
| | 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. | | 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 | | Definition | ChEBI: 3-Butenenitrile is an aliphatic nitrile that is hydrogen cyanide in which the hydrogen has been replaced by an allyl group.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. | | 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. | | 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 |
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