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(4-Cyanophenyl)Acetic Acid
[CAS# 333406-09-0]

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Identification
Name (4-Cyanophenyl)Acetic Acid
Synonyms (4-Cyanophenyl)acetic acid #; (p-Cyanophenyl)acetic acid; 2-(4-cyanophenyl)acetic acid
Molecular Formula C9H7NO2
Molecular Weight 161.16
CAS Registry Number 333406-09-0
SMILES C1=CC(=CC=C1CC(=O)O)C#N
InChI 1S/C9H7NO2/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4H,5H2,(H,11,12)
InChIKey WEBXRQONNWEETE-UHFFFAOYSA-N
Properties
Density 1.3±0.1g/cm3 (Cal.)
Melting point 150-152°C (Expl.)
Boiling point 355.2±25.0°C at 760 mmHg (Cal.)
Flash point 168.6±23.2°C (Cal.)
Refractive index 1.577 (Cal.)
Safety Data
Safety Code S9;S26;S36/37  Details
Risk Code R20/21/22;R36/37/38  Details
Hazard Symbol symbol  X  Details
Transport Information UN3439
Safety Description DANGER: POISON, causes cyanosis; skin, eye, lung irritation
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