142719

Phenyl benzoate

99%

• Synonyme(s) : Benzoic acid phenyl ester
• Formule linéaire : C₆H₅CO₂C₆H₅
• CAS Number: 93-99-2
• Poids moléculaire : 198.22
• Beilstein: 1566346
• Numéro CE : 202-293-2
• Numéro MDL: MFCD00003072
• Code UNSPSC : 12352100
• ID de substance PubChem : 24848534
• Nomenclature NACRES : NA.22

Propriétés

• Niveau de qualité: 100
• Essai: 99%
• Forme: solid
• pb: 298-299 °C (lit.)
• Pf: 68-70 °C (lit.)
• Solubilité: alcohol: freely soluble (hot); diethyl ether: slightly soluble; water: insoluble
• Groupe fonctionnel: ester; phenoxy; phenyl
• Chaîne SMILES: 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
• Clé InChI: FCJSHPDYVMKCHI-UHFFFAOYSA-N

Description

Description générale

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.

Informations sur la sécurité

• Pictogrammes: GHS07
• Mention d'avertissement: Warning
• Mentions de danger: H302,H315
• Conseils de prudence: P264 - P270 - P280 - P301 + P312 - P302 + P352 - P332 + P313
• Classification des risques: Acute Tox. 4 Oral - Skin Irrit. 2
• Code de la classe de stockage: 11 - Combustible Solids
• Classe de danger pour l'eau (WGK): WGK 3
• Point d'éclair (°F): Not applicable
• Point d'éclair (°C): Not applicable
• Équipement de protection individuelle: dust mask type N95 (US), Eyeshields, Gloves