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P16621

Phenylacetic acid

99%

Synonym(s):

α-Toluic acid, α-Tolylic acid, Benzeneacetic acid, PAA

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About This Item

Linear Formula:
C6H5CH2CO2H
CAS Number:
103-82-2
Molecular Weight:
136.15
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24898234
EC Number:
203-148-6
Beilstein/REAXYS Number:
1099647
MDL number:
MFCD00004313
Assay:
99%
Form:
crystals
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vapor density

~4 (vs air)

Quality Segment

100

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

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.

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pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H319

Hazard Classifications

Eye Irrit. 2

Storage Class

11 - Combustible Solids

wgk

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

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