2-Benzyloxyphenol

HCID 80459CAS 6272-38-4

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Grundinformationen

Standard-SMILES: Oc1ccccc1OCc1ccccc1
InChIKey: CCZCXFHJMKINPE-UHFFFAOYSA-N
Summenformel: C13H12O2
Durchschnittliche Molmasse: 200,23 g/mol
Monoisotopische Masse: 200,08372962

Namen und Bezeichner

Bevorzugter Name: 2-Benzyloxyphenol
IUPAC: 2-phenylmethoxyphenol
Lokaler Name: 2-Benzyloxyphenol
Englischer Name: 2-Benzyloxyphenol
Summenformel: C13H12O2
Molmasse: 200.23

Namen und Synonyme

2-BenzyloxyphenolEINECS 228-461-5DTXSID50211801NSC 37426NSC 72669RefChem:465716DTXCID40134292228-461-52-(Benzyloxy)phenol6272-38-42-phenylmethoxyphenolPhenol, 2-(phenylmethoxy)-

Weitere Namen anzeigen

2-Benzyloxy2-(Denzyloxy)phenol2-Benzyloxyphenol,98%Phenol, o-(benzyloxy)-2-(Benzyloxy)phenol 96%2-(Benzyloxy)phenol >CATECHOL MONOBENZYL ETHER

MFCD00002186benzyloxyphenol2-(phenylmethoxy)phenolBenzyl o-hydroxyphenyl ether2-Benzyloxy-phenolo-(Benzyloxy)phenolNSC-37426NSC-72669

Datenbank-Bezeichner

CAS: 6272-38-4
PubChem CID: 80459
DTXSID: DTXSID50211801
ChEMBL: CHEMBL4442258
UNII: TG82JJC4JK
EC Number: 228-461-5
Nikkaji: J211.510G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 15
Formalladung: 0
Komplexität: 175

Physikochemische Eigenschaften

Schmelzpunkt: 35 · 35-40°C
Siedepunkt: 215 °C · 215 °C / 20mmHg
Dichte: 1.143 g/mL · 1.143 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.591(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: Liquid
pka: 9.65 · 9.65±0.30(Predicted)
Farbe: Colorless to pale yellow
Wasserlöslichkeit: Soluble in alcohol, benzene, and diethyl ether. Insoluble in water.
InChI: 1S/C13H12O2/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9,14H,10H2
InChIKey: CCZCXFHJMKINPE-UHFFFAOYSA-N
SMILES: Oc1ccccc1OCc2ccccc2
CAS Datenbank: 6272 · 6272-38-4(CAS DataBase Reference)
NIST chemische Informationen: 2 · Phenol, 2-(phenylmethoxy)-(6272-38-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

Sicherheitsdaten

wgk: 1
hs_code: 29095000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Benzyloxyphenol is used in the synthesis of 2-(benzyloxy)hydroquinone and also used to prepare sequential polypeptides.It is used as reagent for synthesis of multidentate chelating ligands. It is also used in chemicals, pharmaceutical research and also acts a pharmaceutical intermediate.