142719
Phenyl benzoate
99%
Synonym(s):
Benzoic acid phenyl ester
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About This Item
Linear Formula:
C6H5CO2C6H5
CAS Number:
Molecular Weight:
198.22
Beilstein:
1566346
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
Assay
99%
form
solid
bp
298-299 °C (lit.)
mp
68-70 °C (lit.)
solubility
alcohol: freely soluble (hot)
diethyl ether: slightly soluble
water: insoluble
functional group
ester
phenoxy
phenyl
SMILES string
O=C(Oc1ccccc1)c2ccccc2
InChI
1S/C13H10O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H
InChI key
FCJSHPDYVMKCHI-UHFFFAOYSA-N
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General description
Phenyl benzoate is a phenyl ester of benzoic acid. Crystal structure of phenyl benzoate has been determined from 844 microdensitometer-measured intensities. All bond lengths and angles were reported to be normal. Phenyl benzoate undergoes Fries rearrangement catalyzed by heteropoly acids to yield the acylated phenols and esters.
Phenyl benzoate serves as a precursor that undergoes the intramolecular biaryl coupling reaction to produce the intermediate for the synthesis of (−)-steganone.
Phenyl benzoate serves as a precursor that undergoes the intramolecular biaryl coupling reaction to produce the intermediate for the synthesis of (−)-steganone.
Application
Phenyl benzoate was used in the synthesis of soluble polyimides using dianhydride/diamine derivatives.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral - Skin Irrit. 2
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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