8.08222

Trichloroacetonitrile

for synthesis

• Synonym(s): Trichloroacetonitrile, Trichloromethylnitrile
• Empirical Formula (Hill Notation): C₂Cl₃N
• CAS Number: 545-06-2
• Molecular Weight: 144.39
• MDL number: MFCD00001842
• UNSPSC Code: 12352117
• EC Index Number: 208-885-7
• NACRES: NA.22

Properties

• vapor pressure: 77 hPa ( 20 °C)
• Quality Level: 200
• Assay: ≥98.0% (GC)
• form: liquid
• potency: 250 mg/kg LD₅₀, oral (Rat)
• bp: 85.7 °C/1013 hPa
• mp: -44 °C
• transition temp: flash point >195 °C
• solubility: 750 mg/L
• density: 1.44 g/cm³ at 20 °C
• storage temp.: 2-30°C
• InChI: 1S/C2Cl3N/c3-2(4,5)1-6
• InChI key: DRUIESSIVFYOMK-UHFFFAOYSA-N

Description

Analysis Note

Assay (GC, area%): ≥ 98.0 % (a/a)
Density (d 20 °C/ 4 °C): 1.442 - 1.448
Identity (IR): passes test

Safety Information

• Pictograms: GHS06,GHS09
• Signal Word: Danger
• Hazard Statements: H301 + H311 + H331 - H411
• Precautionary Statements: P261 - P273 - P280 - P301 + P310 - P302 + P352 + P312 - P304 + P340 + P311
• Hazard Classifications: Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Chronic 2
• Storage Class Code: 6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 3
• Flash Point(F): 165.2 °F
• Flash Point(C): 74 °C