2-Naphthalenemethanol

HCID 74128CAS 1592-38-7

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Grundinformationen

Standard-SMILES: OCc1ccc2ccccc2c1
InChIKey: MFGWMAAZYZSWMY-UHFFFAOYSA-N
Summenformel: C11H10O
Durchschnittliche Molmasse: 158,2 g/mol
Monoisotopische Masse: 158,07316494

Überblick

(2-naphthyl)methanol is a naphthylmethanol that is methanol in which one of the methyl hydrogens has been replaced by a (2-naphthyl) group. It has a role as a mouse metabolite and a xenobiotic metabolite.

Namen und Bezeichner

Bevorzugter Name: 2-Naphthalenemethanol
IUPAC: naphthalen-2-ylmethanol
Englischer Name: 2-Naphthalenemethanol
Summenformel: C11H10O
Molmasse: 158.2

Namen und Synonyme

2-NAPHTHALENEMETHANOL1592-38-7(2-Naphthyl)methanol2-HydroxymethylnaphthaleneCHEBI:27615DTXSID70166607RefChem:396160DTXCID2089098(naphthalen-2-yl)methanol;2-naphthylmethanol812-602-8naphthalen-2-ylmethanol2-Naphthylmethanol

Weitere Namen anzeigen

2-Naphtylmethanol2-Naphthylcarbinolβ-Naphthylcarbinolb-Naphthylcarbinol(2-Naphtyl)methanol2-NAPHTHYL METHANOLRARECHEM AL BD 00942-phthalenemethanol2-NAPHTHALENEARBINOL2-NaphthaleneMethonal

(naphthalen-2-yl)methanolbeta-NaphthylcarbinolNaphthalen-2-yl-methanol2-naphthylmethan-1-olMFCD00004124Naphthalenemethanol2-(Hydroxymethyl)naphthalenenaphth-2-yl-methanol

Datenbank-Bezeichner

CAS: 1592-38-7
PubChem CID: 74128
DTXSID: DTXSID70166607
ChEMBL: CHEMBL150445
ChEBI: CHEBI:27615
UNII: K38MJM7L9N
EC Number: 812-602-8
Nikkaji: J149.365E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 144

Experimentelle und physikochemische Eigenschaften

LogP2.42

Physikochemische Eigenschaften

Schmelzpunkt: 79 · 79-81 °C (lit.)
Siedepunkt: 178 °C/12mmHg · 178°C/12mmHg(lit.)
Dichte: 0.9887 · 0.9887 (rough estimate)
Brechungsindex: 1.544 · 1.5440 (estimate)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Acetonitrile (Slightly), Chloroform (Slightly)
Aggregatzustand: Crystalline Powder
pka: 14.29 · 14.29±0.10(Predicted)
Farbe: White
InChI: InChI=1S/C11H10O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8H2
InChIKey: MFGWMAAZYZSWMY-UHFFFAOYSA-N
SMILES: C1=C2C(C=CC=C2)=CC=C1CO
CAS Datenbank: 1592 · 1592-38-7(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Naphthalenemethanol(1592-38-7)

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29062990
risk_code: 11-34
hazard_code: Xi,C,F
safety_code: 24/25-45-36/37/39-26-16
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsMembrane

Anwendungen

Verwenden2-Naphthalenemethanol was used as marker in the determination of critical micelle concentration of anionic surfactants by capillary electrophoresis. It was used in the synthesis of acetate protected xylosides.