P16621
Phenylacetic acid
99%
Synonym(s):
α-Toluic acid, α-Tolylic acid, Benzeneacetic acid, PAA
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All Photos(4)
About This Item
Linear Formula:
C6H5CH2CO2H
CAS Number:
Molecular Weight:
136.15
Beilstein:
1099647
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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vapor density
~4 (vs air)
Quality Level
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
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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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2
Storage Class Code
11 - Combustible Solids
WGK
WGK 1
Flash Point(F)
269.6 °F - closed cup
Flash Point(C)
132 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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