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P16621

Phenylacetic acid

Name: Phenylacetic acid
Brand: ALDRICH

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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Properties

vapor density

~4 (vs air)

Quality Level

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

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.

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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

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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A mild and efficient protocol to synthesize chromones, isoflavones, and homoisoflavones using the complex 2, 4, 6-trichloro-1, 3, 5-triazine/dimethylformamide.

Basha G M, et al.

Canadian Journal of Chemistry, 91(8), 763-768 (2013)

A Family of Mn16 Single-Molecule Magnets from a Reductive Aggregation Route.

King P, et al.

Inorganic Chemistry, 43(23), 7315-7323 (2004)

Versatile Pd (II)-Catalyzed C? H Activation/Aryl? Aryl Coupling of Benzoic and Phenyl Acetic Acids.

Wang D H, et al.

Journal of the American Chemical Society, 130(52), 17676-17677 (2008)

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