2-Phenylacrylic Acid , 90% , 492-38-6

CAS NO.：492-38-6

Empirical Formula: C9H8O2

Molecular Weight: 148.16

MDL number: MFCD00046531

EINECS: 207-753-6

PRODUCT Properties

• Melting point: 106-107°
• Boiling point: bp ~267° with partial decompn
• Density: 1.0061 (rough estimate)
• refractive index: 1.5049 (estimate)
• storage temp.: 2-8°C
• solubility: DMSO (Slightly), Methanol (Slightly)
• form: Solid
• pka: 3.86±0.11(Predicted)
• color: White to Off-White
• Water Solubility: 1.3g/L(20 ºC)
• Merck: 14,874
• Stability: Light Sensitive
• Major Application: pharmaceutical; pharmaceutical small molecule
• InChI: 1S/C9H8O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-6H,1H2,(H,10,11)
• InChIKey: ONPJWQSDZCGSQM-UHFFFAOYSA-N
• SMILES: OC(=O)C(=C)c1ccccc1
• CAS DataBase Reference: 492-38-6(CAS DataBase Reference)
• NIST Chemistry Reference: Benzeneacetic acid, «alpha»-methylene-(492-38-6)
• EPA Substance Registry System: Benzeneacetic acid, .alpha.-methylene- (492-38-6)

Description and Uses

Atropic acid is an Impurity of Ipratropium bromide and Atropine Sulfate. Atropic acid and β,β-dimethylatropic acid are plant growth regulators.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319
• Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
• target organs: Respiratory system
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39
• WGK Germany: WGK 3
• HS Code: 29163990
• Storage Class: 11 - Combustible Solids
• Hazard Classifications: Acute Tox. 4 Oral; Eye Irrit. 2; Skin Irrit. 2; STOT SE 3