4-Phenoxyphenylacetic acid

HCID 239077

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Grundinformationen

CAS: 6328-74-1
Standard-SMILES: O=C(O)Cc1ccc(Oc2ccccc2)cc1
InChIKey: VARVNFDGRLLTCI-UHFFFAOYSA-N
Summenformel: C14H12O3
Durchschnittliche Molmasse: 228,24 g/mol
Monoisotopische Masse: 228,07864424

Namen und Bezeichner

Bevorzugter Name: 4-Phenoxyphenylacetic acid
IUPAC: 2-(4-phenoxyphenyl)acetic acid
Englischer Name: 4-PHENOXYPHENYLACETIC ACID
Summenformel: C14H12O3
Molmasse: 228.24

Namen und Synonyme

4-Phenoxyphenylacetic acidRefChem:526291626-215-56328-74-12-(4-Phenoxyphenyl)acetic acid(4-phenoxyphenyl)acetic acid(4-phenoxy-phenyl)-acetic acidMFCD000797794-PhenoxyphenylaceticAcid4-(phenoxy)phenylacetic acidp-Phenyloxyphenylacetic Acid4-phenoxy-phenylacetic acid

Weitere Namen anzeigen

NSC 43857RARECHEM AL BO 15214-PHENOXYPHENYLACETICp-Phenoxyphenylacetic Acid4-Phenoxybenzeneacetic Acid4-Phenoxyphenylethanoic acid4-Phenoxyphenylacetic acid 97%

(4'-phenoxyphenyl)acetic acid(4phenoxy-phenyl)-acetic acidAKOS002392972Benzeneacetic acid, 4-phenoxy-NSC43857SCHEMBL1145770DTXSID809793614-Phenoxyphenylacetic acid, 97%

Datenbank-Bezeichner

CAS: 6328-74-1
PubChem CID: 239077
DTXSID: DTXSID80979361
EC Number: 626-215-5

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 46,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 17
Formalladung: 0
Komplexität: 238

Physikochemische Eigenschaften

Schmelzpunkt: 72 · 72-79 °C
Siedepunkt: 382 ℃ · 382℃
Dichte: 1.217 · 1.217
Brechungsindex: 1.58 · 1.5800 (estimate)
Flammpunkt: 146 ℃ · 146℃
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: solid
pka: 4.34 · 4.34±0.10(Predicted)
InChI: 1S/C14H12O3/c15-14(16)10-11-6-8-13(9-7-11)17-12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)
InChIKey: VARVNFDGRLLTCI-UHFFFAOYSA-N
SMILES: OC(=O)Cc1ccc(Oc2ccccc2)cc1
CAS Datenbank: 6328 · 6328-74-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (88.6%)

Sicherheitsdaten

wgk: 2
ridadr: UN 3077 9/PG 3
hs_code: 29189900
risk_code: 22-50
hazard_code: Xn,N,Xi
safety_code: 60-61
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Sens. 1

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-PHENOXYPHENYLACETIC ACID is an arylaliphatic acid used in the preperation of protential inhibitors of collagen-induced aggregation of human thrombocytes. p-Phenyloxyphenylacetic Acid is a predicted metabolite of 6-Amino-4-(4-phenoxyphenylethylamino)quinazoline.