Phenylbenzoat

Bezeichnung:Phenylbenzoat

CAS-Nr93-99-2

Englisch Name:Phenyl benzoate

CBNumberCB8256450

SummenformelC13H10O2

Molgewicht198.22

MOL-Datei93-99-2.mol

Synonyma

Phenylbenzoat

Phenylbenzoat physikalisch-chemischer Eigenschaften

Schmelzpunkt	68-70 °C (lit.)
Siedepunkt	298-299 °C (lit.)
Dichte	1.235
Brechungsindex	1.5954 (estimate)
Flammpunkt	298-299°C
storage temp.	Store below +30°C.
Löslichkeit	alcohol: freely soluble (hot)
Aggregatzustand	Fine Crystalline Powder
Farbe	White
Geruch (Odor)	geranium odor
Wasserlöslichkeit	Soluble in ethanol, ethyl ether and chloroform. Insoluble in water.
Merck	14,7275
BRN	1566346
Stabilität	Stable. Incompatible with strong oxidizing agents, strong acids, strong bases.
LogP	3.590
CAS Datenbank	93-99-2(CAS DataBase Reference)
NIST chemische Informationen	Benzoic acid, phenyl ester(93-99-2)
EPA chemische Informationen	Benzoic acid, phenyl ester (93-99-2)

Sicherheit

Kennzeichnung gefährlicher	Xn
R-Sätze:	22-38
S-Sätze:	22-24/25
WGK Germany	3
RTECS-Nr.	DH6299500
TSCA	Yes
HS Code	29163100
Toxizität	LD50 orl-mus: 1225 mg/kg YKKZAJ 89,1179,69

Gefahreninformationscode (GHS)

Phenyl benzoate Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R22:Gesundheitsschädlich beim Verschlucken.
R38:Reizt die Haut.
S-Sätze Betriebsanweisung:
S22:Staub nicht einatmen.
S24/25:Berührung mit den Augen und der Haut vermeiden.
Chemische Eigenschaften
white crystalline powder
Verwenden
Phenyl Benzoate is a key reagent in the synthesis of soluble polyimides using dianhydride/diamine derivatives.
synthetische
A glass tube was charged with benzoic anhydride (1.13 g, 5.00 mmol), diphenyl carbonate (1.07 g, 5.00 mmol), and either Ti(OBu)4 (0.020 g, 0.059 mmol) or Sn(OMe)2Bu2 (0.017 g, 0.059 mmol) as catalyst. The reaction mixture was heated at 300 ℃ for 30 min. After cooling to room temperature, the crude product obtained was dissolved in dichloromethane (10 mL) and the solution was filtered. The solvent was evaporated and the product obtained after column chromatography (silica gel; CH2Cl2/cyclohexane, 4:1) was recrystallized from petroleum ether; yield 95%.
Definition
ChEBI: A benzoate ester obtained by the formal condensation of phenol with benzoic acid.
Synthesis Reference(s)
Canadian Journal of Chemistry, 61, p. 86, 1983 DOI: 10.1139/v83-015
Synthesis, p. 908, 1983 DOI: 10.1055/s-1983-30561
Tetrahedron Letters, 41, p. 1343, 2000 DOI: 10.1016/S0040-4039(99)02289-3
Allgemeine Beschreibung
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.
Sicherheitsprofil
Moderately toxic by ingestion. When heated it emits acrid smoke and irritating fumes.
läuterung methode
Crystallise the ester from EtOH using ca twice the volume needed for complete dissolution at 69o. [Beilstein 9 IV 303.]

Phenyl benzoate Upstream-Materialien And Downstream Produkte

Phenylbenzoat Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

93-99-2, Phenyl benzoate Verwandte Suche:

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