Ethyl 4'-hydroxy-4-biphenylcarboxylate

HCID 4049156CAS 50670-76-3

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Grundinformationen

Standard-SMILES: CCOC(=O)c1ccc(-c2ccc(O)cc2)cc1
InChIKey: FYXQIMAAEMCZLV-UHFFFAOYSA-N
Summenformel: C15H14O3
Durchschnittliche Molmasse: 242,27 g/mol
Monoisotopische Masse: 242,09429431

Namen und Bezeichner

Bevorzugter Name: Ethyl 4'-hydroxy-4-biphenylcarboxylate
IUPAC: ethyl 4-(4-hydroxyphenyl)benzoate
Englischer Name: Ethyl 4'-hydroxy-4-biphenylcarboxylate
Summenformel: C15H14O3
Molmasse: 242.27

Namen und Synonyme

Ethyl 4'-hydroxy-4-biphenylcarboxylateRefChem:595088626-818-350670-76-3Ethyl 4'-hydroxy-[1,1'-biphenyl]-4-carboxylateEthyl 4-(4-hydroxyphenyl)benzoateethyl 4'-hydroxy[1,1'-biphenyl]-4-carboxylateMFCD07809563G4LZS45VEEethyl 4'-hydroxybiphenyl-4-carboxylateDTXSID403987714-(4-hydroxyphenyl)benzoate ethylester

Weitere Namen anzeigen

Ethyl 4′-hydroxy-4-biphenylcarboxylate4'-Hydroxy-biphenyl-4-carboxylicacidethylester4Hydroxy-4-biphenyl-4-carboxylic acid ethyl ester

SS-3068SY100632[1,1'-Biphenyl]-4-carboxylic acid, 4'-hydroxy-, ethyl esterW13062Ethyl 4'-hydroxy(1,1'-biphenyl)-4-carboxylate4'-hydroxy-[1,1'-biphenyl]-4-carboxylic acid, ethyl ester4-(4-Ethoxycarbonylphenyl)phenol4'-Hydroxy-(1,1'-biphenyl)-4-carboxylic acid ethyl ester

Datenbank-Bezeichner

CAS: 50670-76-3
PubChem CID: 4049156
DTXSID: DTXSID40398771
UNII: G4LZS45VEE
EC Number: 626-818-3
Nikkaji: J1.260.706G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,1
Polarare Oberfläche (TPSA): 46,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 18
Formalladung: 0
Komplexität: 261

Physikochemische Eigenschaften

Schmelzpunkt: 142 · 142-144 °C (dec.)(lit.)
Siedepunkt: 392 · 392.0±25.0 °C(Predicted)
Dichte: 1.167 · 1.167±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 9.56 · 9.56±0.26(Predicted)
Aggregatzustand: Solid
Farbe: White to light yellow
Major Application: diagnostic assay manufacturinghematologyhistology
InChI: 1S/C15H14O3/c1-2-18-15(17)13-5-3-11(4-6-13)12-7-9-14(16)10-8-12/h3-10,16H,2H2,1H3
InChIKey: FYXQIMAAEMCZLV-UHFFFAOYSA-N
SMILES: CCOC(=O)c1ccc(cc1)-c2ccc(O)cc2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.