8.00092

Adiponitrile

for synthesis

• Synonym(s): Adiponitrile, Hexanedinitrile
• Linear Formula: NC(CH₂)₄CN
• CAS Number: 111-69-3
• Molecular Weight: 108.14
• UNSPSC Code: 12352117
• EC Index Number: 203-896-3
• NACRES: NA.22
• MDL number: MFCD00001975
• Assay: ≥98.0% (GC)
• Form: liquid

Properties

• vapor pressure: 0.003 hPa ( 20 °C)
• Quality Level: 200
• assay: ≥98.0% (GC)
• form: liquid
• autoignition temp.: 460 °C
• potency: 138 mg/kg LD₅₀, oral (Rat), 2134 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 7-14 % (v/v)
• mp: 2 °C
• transition temp: flash point 93 °C (decomposition)
• solubility: 50 g/L
• density: 0.96 g/cm³ at 20 °C
• storage temp.: 2-30°C
• SMILES string: N#CCCCCC#N
• InChI: 1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2
• InChI key: BTGRAWJCKBQKAO-UHFFFAOYSA-N

Description

Analysis Note

Assay (GC, area%): ≥ 98.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.962 - 0.964
Identity (IR): passes test
Due to its specific melting range the product may be solid, liquid, a solidified melt or a supercooled melt.

Safety Information

• pictograms: GHS06
• signalword: Danger
• hcodes: H301 - H332
• pcodes: P261 - P264 - P271 - P301 + P310 - P304 + P340 + P312 - P405
• Hazard Classifications: Acute Tox. 3 Oral - Acute Tox. 4 Inhalation
• Storage Class: 6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk: WGK 1
• flash_point_f: 325.4 °F - closed cup
• flash_point_c: 163 °C - closed cup