142719

Phenyl benzoate

99%

• Synonym(s): Benzoic acid phenyl ester
• Linear Formula: C₆H₅CO₂C₆H₅
• CAS Number: 93-99-2
• Molecular Weight: 198.22
• Beilstein: 1566346
• EC Number: 202-293-2
• MDL number: MFCD00003072
• UNSPSC Code: 12352100
• PubChem Substance ID: 24848534
• NACRES: NA.22

Properties

• Quality Level: 100
• 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

Description

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.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H302,H315
• Precautionary Statements: P264 - P270 - P280 - P301 + P312 - P302 + P352 - P332 + P313
• 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