8.00258

Allyl cyanide

for synthesis

• Synonym(s): Allyl cyanide, 3-Butenenitrile, Vinylacetonitrile
• Linear Formula: CH₂=CHCH₂CN
• CAS Number: 109-75-1
• Molecular Weight: 67.09
• UNSPSC Code: 12352117
• EC Index Number: 203-701-1
• NACRES: NA.22
• MDL number: MFCD00001962

Properties

• Quality Segment: 200
• assay: ≥98.0% (GC)
• form: liquid
• autoignition temp.: 455 °C
• potency: 115 mg/kg LD₅₀, oral (Rat), 1170 mg/kg LD₅₀, skin (Rabbit)
• mp: -87 °C
• transition temp: flash point 23 °C
• density: 0.83 g/cm³ at 25 °C
• storage temp.: 2-8°C
• InChI: 1S/C4H5N/c1-2-3-4-5/h2H,1,3H2
• InChI key: SJNALLRHIVGIBI-UHFFFAOYSA-N

Description

Analysis Note

Assay (GC, area%): ≥ 98.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.830 - 0.835
Identity (IR): passes test

Safety Information

• pictograms: GHS02,GHS06
• signalword: Danger
• hcodes: H226 - H301 + H331 - H312 - H315 - H319
• pcodes: P210 - P280 - P301 + P310 - P303 + P361 + P353 - P304 + P340 + P311 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Acute Tox. 4 Dermal - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2
• Storage Class: 3 - Flammable liquids
• wgk: WGK 3
• flash_point_f: 75.2 °F - closed cup
• flash_point_c: 24 °C - closed cup