P16621

Phenylacetic acid

99%

• Synonym(s): α-Toluic acid, α-Tolylic acid, Benzeneacetic acid, PAA
• Linear Formula: C₆H₅CH₂CO₂H
• CAS Number: 103-82-2
• Molecular Weight: 136.15
• Beilstein/REAXYS Number: 1099647
• EC Number: 203-148-6
• MDL number: MFCD00004313
• UNSPSC Code: 12352100
• PubChem Substance ID: 24898234
• NACRES: NA.22

Properties

• vapor density: ~4 (vs air)
• vapor pressure: 1 mmHg ( 97 °C)
• assay: 99%
• form: crystals
• bp: 265 °C (lit.)
• mp: 76-78 °C (lit.)
• density: 1.081 g/mL at 25 °C (lit.)
• SMILES string: OC(=O)Cc1ccccc1
• InChI: 1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
• InChI key: WLJVXDMOQOGPHL-UHFFFAOYSA-N

Description

Application

• Phenylacetic acid can be used to synthesize a variety of phenyl substituted compounds by Pd (II)-catalyzed C-H activation/aryl-aryl coupling reaction.
• It can be employed in the preparation of Mn₁₆ single-molecule magnets by reductive aggregation route.
• It can be used as a precursor to synthesize chromones, isoflavones, and homoisoflavones.
• It can also be used as a key precursor in the synthesis of emethallicin E and (−)-incarviatone A.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H319
• pcodes: P264 - P280 - P305 + P351 + P338 - P337 + P313
• Hazard Classifications: Eye Irrit. 2
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 1
• flash_point_f: 269.6 °F - closed cup
• flash_point_c: 132 °C - closed cup
• ppe: dust mask type N95 (US), Eyeshields, Gloves