3-Chloro-5-fluoro-4-methoxybenzonitrile
[CAS# 886497-30-9]

Identification

• Name: 3-Chloro-5-fluoro-4-methoxybenzonitrile
• Synonyms: 5-chloro-3-fluoro-4-methoxybenzenecarbonitrile; MFCD04115866
• Molecular Formula: C₈H₅ClFNO
• Molecular Weight: 185.58
• CAS Registry Number: 886497-30-9
• SMILES: COC1=C(C=C(C=C1Cl)C#N)F
• InChI: 1S/C8H5ClFNO/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-3H,1H3
• InChIKey: DMZLTRBVBZNQKR-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Melting point: 71-73°C (Expl.)
• Boiling point: 263.5±35.0°C at 760 mmHg (Cal.)
• Flash point: 113.1±25.9°C (Cal.)
• Refractive index: 1.527 (Cal.)

Safety Data

• Safety Code: S26;S36/37
• Risk Code: R20/21/22;R36/38
• Hazard Symbol: X
• Transport Information: UN3439
• Safety Description: DANGER: POISON, causes cyanosis; skin, eye, lung irritation