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Merck

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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
202-293-2
Beilstein/REAXYS Number:
1566346
MDL number:
Assay:
99%
Form:
solid
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Quality Segment

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

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.

Application

Phenyl benzoate was used in the synthesis of soluble polyimides using dianhydride/diamine derivatives.


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Warning

hcodes

Hazard Classifications

Acute Tox. 4 Oral - Skin Irrit. 2

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves



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