1'-Hydroxy-2'-acetonaphthon

1'-Hydroxy-2'-acetonaphthone

HCID 69733CAS 711-79-5

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Grundinformationen

Standard-SMILES: CC(=O)c1ccc2ccccc2c1O
InChIKey: JBGJVMVWYWUVOW-UHFFFAOYSA-N
Summenformel: C12H10O2
Durchschnittliche Molmasse: 186,21 g/mol
Monoisotopische Masse: 186,06807956

Überblick

a fluorescent proton transfer probe; structure in first source

Namen und Bezeichner

Bevorzugter Name: 1'-Hydroxy-2'-acetonaphthone
IUPAC: 1-(1-hydroxynaphthalen-2-yl)ethanone
Lokaler Name: 1'-Hydroxy-2'-acetonaphthon
Englischer Name: 1'-Hydroxy-2'-acetonaphthone
Summenformel: C12H10O2
Molmasse: 186.21

Namen und Synonyme

1'-Hydroxy-2'-acetonaphthoneRefChem:433111711-79-52-Acetyl-1-naphthol1-(1-hydroxynaphthalen-2-yl)ethanone1-Hydroxy-2-acetylnaphthalene1-(1-hydroxynaphthalen-2-yl)ethan-1-one1-Hydroxy-2-acetonaphthone2-Acetyl-1-hydroxynaphthaleneMFCD000039631-(1-Hydroxy-2-naphthyl)ethanone1-(1-Hydroxy-naphthalen-2-yl)-ethanone

Weitere Namen anzeigen

TIMTEC-BB SBB010063RARECHEM BW GA 0421LABOTEST-BB LT000685572-Acetyl-1-naphthol 99%2-Acetyl-1-naphthol,99%ASINEX-REAG BAS 07629298Ethanone, 1-(1-Hydroxy-2-

Ethanone, 1-(1-hydroxy-2-naphthalenyl)-2'-Acetonaphthone, 1'-hydroxy-1-Hydroxy-2-naphthyl methyl ketone2-Aceto-1-naphthol3',4'-Benzo-2'-hydroxyacetophenone1-(1-Hydroxy-2-naphthalenyl)ethanoneNSC 4973N3BKY69086

Datenbank-Bezeichner

CAS: 711-79-5
PubChem CID: 69733
DTXSID: DTXSID4061044
ChEMBL: CHEMBL569194
UNII: N3BKY69086
EC Number: 211-918-8
Nikkaji: J1.557.078D、J79.921A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 224

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physikochemische Eigenschaften

Schmelzpunkt: 98 · 98-100 °C(lit.)
Siedepunkt: 280.69 °C · 280.69°C (rough estimate)
Dichte: 1.1032 · 1.1032 (rough estimate)
Brechungsindex: 1.6086 · 1.6086 (estimate)
storage temp.: 2 · 2-8°C, stored under nitrogen
Aggregatzustand: Crystalline Powder
pka: 1 · pK1: 13.40 (30°C)
Farbe: Yellow
Wasserlöslichkeit: Insoluble in water.
BRN: 1868084 · 1868084
InChI: InChI=1S/C12H10O2/c1-8(13)10-7-6-9-4-2-3-5-11(9)12(10)14/h2-7,14H,1H3
InChIKey: JBGJVMVWYWUVOW-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C2C(=C1O)C=CC=C2)C
EPA chemische Informationen: 1 · Ethanone, 1-(1-hydroxy-2-naphthalenyl)- (711-79-5)

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 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 CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29145000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationEthanone, 1-(1-hydroxy-2-naphthalenyl)-: INACTIVE

Anwendungen

Verwenden2-acetyl-1-naphthol and 1-acetyl-2-naphthol with triphosgene gave naphtho[1,2-e]-1,3-oxazines, naphtho[2,1-e]-1,3-oxazines or their spiro dimers depending on the molar ratio of triphosgene used for the cyclization.