Phenylpropiolic Acid , ≥98.0% , 637-44-5

Synonym(s):
Phenylpropynoic acid

CAS NO.：637-44-5

Empirical Formula: C9H6O2

Molecular Weight: 146.14

MDL number: MFCD00004361

EINECS: 211-285-8

PRODUCT Properties

• Melting point: 135-137 °C (lit.)
• Boiling point: 225.74°C (rough estimate)
• Density: 1.1674 (rough estimate)
• refractive index: 1.5550 (estimate)
• storage temp.: 2-8°C
• form: Fine Crystalline Powder
• pka: pK1:2.269 (35°C)
• color: White to slightly beige
• Water Solubility: freely soluble
• BRN: 742587
• InChI: InChI=1S/C9H6O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,(H,10,11)
• InChIKey: XNERWVPQCYSMLC-UHFFFAOYSA-N
• SMILES: C(O)(=O)C#CC1=CC=CC=C1
• CAS DataBase Reference: 637-44-5(CAS DataBase Reference)
• NIST Chemistry Reference: Phenylpropiolic acid(637-44-5)
• EPA Substance Registry System: 2-Propynoic acid, 3-phenyl- (637-44-5)

Description and Uses

Phenylpropiolic Acid is used as a reagent in the high yield synthesis of 3,3-diphenylpropanoic acid derivatives via hydrophenylation and ionic hydrogenation with strong Lewis acids. It is also used in the synthesis of highly substituted aromatic rings via the alkyne-mediated approach which serve as templates for drug design.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338
• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 26-36-24/25
• WGK Germany: 3
• TSCA: Yes
• HazardClass: IRRITANT
• HS Code: 29163900