8.00593

Phthalonitrile

for synthesis

• Synonym(s): Phthalonitrile, 1,2-Benzenedicarbonitrile
• Linear Formula: C₆H₄-1,2-(CN)₂
• CAS Number: 91-15-6
• Molecular Weight: 128.13
• MDL number: MFCD00001771
• UNSPSC Code: 12352117
• EC Index Number: 202-044-8
• NACRES: NA.22

Properties

• vapor pressure: <1 Pa ( 25 °C)
• Quality Level: 200
• Assay: ≥98% (GC)
• autoignition temp.: >580 °C
• potency: 85 mg/kg LD₅₀, oral (Rat)
• pH: 7 ( in H₂O)
• mp: 138-141 °C
• transition temp: flash point >130 °C
• solubility: 0.56 g/L
• density: 1.24 g/cm³ at 20 °C
• bulk density: 500 kg/m³
• storage temp.: 2-30°C
• InChI: 1S/C8H4N2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H
• InChI key: XQZYPMVTSDWCCE-UHFFFAOYSA-N

Description

Analysis Note

Assay (GC, area%): ≥ 98 %
Melting range
- lower value:
≥ 138 °C
- upper value: ≤ 141 °C
Identity (IR): passes test

Safety Information

• Pictograms: GHS06
• Signal Word: Danger
• Hazard Statements: H301 - H412
• Precautionary Statements: P264 - P270 - P273 - P301 + P310 - P405 - P501
• Hazard Classifications: Acute Tox. 3 Oral - Aquatic Chronic 3
• Storage Class Code: 6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 1