2-(2-Chloro-4-Methoxyphenyl)-3-Oxobutanenitrile
[CAS# 441060-95-3]

Identification

• Name: 2-(2-Chloro-4-Methoxyphenyl)-3-Oxobutanenitrile
• Synonyms: ^a-Acetyl-2-chloro-4-methoxyphenylacetonitrile; 2-(2-chloro-4-methoxyphenyl)-3-oxobutanenitrile; 2-(2-Chloro-4-methoxyphenyl)-3-oxobutyronitrile
• Molecular Formula: C₁₁H₁₀ClNO₂
• Molecular Weight: 223.66
• CAS Registry Number: 441060-95-3
• SMILES: CC(=O)C(C#N)C1=C(C=C(C=C1)OC)Cl
• InChI: 1S/C11H10ClNO2/c1-7(14)10(6-13)9-4-3-8(15-2)5-11(9)12/h3-5,10H,1-2H3
• InChIKey: PBMDCUAGVOXBMF-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Melting point: 66-69°C (Expl.)
• Boiling point: 316.1±42.0°C at 760 mmHg (Cal.)
• Flash point: 145.0±27.9°C (Cal.)
• Refractive index: 1.533 (Cal.)

Safety Data

• Safety Code: S9;S26;S36/37
• Risk Code: R20/21/22;R36/37/38
• Hazard Symbol: X
• Transport Information: UN3439
• Safety Description: DANGER: POISON, causes cyanosis; skin, eye, lung irritation