2,7-Dimethoxynaphthalin

2,7-Dimethoxynaphthalene

HCID 77021CAS 3469-26-9

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Grundinformationen

Standard-SMILES: COc1ccc2ccc(OC)cc2c1
InChIKey: PPKHAIRFQKFMLE-UHFFFAOYSA-N
Summenformel: C12H12O2
Durchschnittliche Molmasse: 188,22 g/mol
Monoisotopische Masse: 188,08372962

Überblick

structure given in first source

Namen und Bezeichner

Bevorzugter Name: 2,7-Dimethoxynaphthalene
IUPAC: 2,7-dimethoxynaphthalene
Lokaler Name: 2,7-Dimethoxynaphthalin
Englischer Name: 2,7-Dimethoxynaphthalene
Summenformel: C12H12O2
Molmasse: 188.22

Namen und Synonyme

2,7-Dimethoxynaphthalene3469-26-9Naphthalene, 2,7-dimethoxy-DTXSID70188243RefChem:83425DTXCID00110734222-433-6MFCD00004064EINECS 222-433-6SCHEMBL443528SCHEMBL11361135SCHEMBL21830263

Weitere Namen anzeigen

2,7-Dimethoxy2,7-Dimethoxyphthalene7-Dimethoxynaphthalene2,7-Dimethoxynaphthalin2,7-DimethoxylNaphthalene2,7-Dimethoxynaphthalene>2,7- twoMethoxy naphthalene2,7-Dimethoxynaphthalene,98%

SCHEMBL293670322,7-Dimethoxynaphthalene, 98%PPKHAIRFQKFMLE-UHFFFAOYSA-CS-M0858NSC28991NSC 28991NSC-28991AKOS000121467

Datenbank-Bezeichner

CAS: 3469-26-9
PubChem CID: 77021
DTXSID: DTXSID70188243
EC Number: 222-433-6
Nikkaji: J69.939J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,4
Polarare Oberfläche (TPSA): 18,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 163

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physikochemische Eigenschaften

Schmelzpunkt: 137 · 137-139 °C (lit.)
Siedepunkt: 283.23 °C · 283.23°C (rough estimate)
Dichte: 1.075 · 1.0750 (rough estimate)
Brechungsindex: 1.601 · 1.6010 (estimate)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
Farbe: White to Orange to Green
InChI: InChI=1S/C12H12O2/c1-13-11-5-3-9-4-6-12(14-2)8-10(9)7-11/h3-8H,1-2H3
InChIKey: PPKHAIRFQKFMLE-UHFFFAOYSA-N
SMILES: C1=C2C(C=CC(OC)=C2)=CC=C1OC
CAS Datenbank: 3469 · 3469-26-9(CAS DataBase Reference)
NIST chemische Informationen: 2 · Naphthalene, 2,7-dimethoxy-(3469-26-9)

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 40 reports by companies from 3 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
hs_code: 29093090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-24/25
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

UsesSynthetic Polymer MALDI Matrix Compounds

Anwendungen · 1 Eintrag

Verwenden2,7-Dimethoxynaphthalene was employed as matrix to investigate the structure of polymetallic porphyrins via matrix-assisted laser desorption/ionization. It was also used in the synthesis of:peri-aroylnaphthalene compounds via elective electrophilic aromatic aroylation2-amino-1,2,3,4-tetrahydronaphthalene-6,7-diol