2,3-Naphthalenedicarboxaldehyde

HCID 96400CAS 7149-49-7

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Grundinformationen

Standard-SMILES: O=Cc1cc2ccccc2cc1C=O
InChIKey: ZIPLKLQPLOWLTM-UHFFFAOYSA-N
Summenformel: C12H8O2
Durchschnittliche Molmasse: 184,19 g/mol
Monoisotopische Masse: 184,0524295

Überblick

used in colorimetric determination of cholesterol; RN from CA Form Index Vol 90; N1 same as NM

Namen und Bezeichner

Bevorzugter Name: 2,3-Naphthalenedicarboxaldehyde
IUPAC: naphthalene-2,3-dicarbaldehyde
Englischer Name: Naphthalene-2,3-dicarboxaldehyde
Summenformel: C12H8O2
Molmasse: 184.19

Namen und Synonyme

7149-49-7naphthalene-2,3-dicarbaldehyde2,3-NaphthalenedicarboxaldehydeNaphthalene-2,3-dicarboxaldehyde2,3-NaphthalenedicarbaldehydeNaphthalene-2,3-dialdehyde2,3-NdaNSC-72106Z676031J38DTXSID20221710RefChem:442611DTXCID50144201

Weitere Namen anzeigen

NDANAPHTHALENE DIALDEHYDEFluorimetricreagentfo]2,3-NaphtahalnendialdehydeNaphthalenedicarboxaldehyde

2,3-NaphthalenedialdehydeMFCD000166182,3-DiformylnaphthaleneNSC 721062,3-naphthalene dialdehydeSCHEMBL652955orb1944849SCHEMBL11542686

Datenbank-Bezeichner

CAS: 7149-49-7
PubChem CID: 96400
DTXSID: DTXSID20221710
UNII: Z676031J38
EC Number: 634-732-2
Nikkaji: J207.996H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 34,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 200

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physikochemische Eigenschaften

Schmelzpunkt: 131 · 131-133 °C(lit.)
Siedepunkt: 380 · 380.0±25.0 °C(Predicted)
Dichte: 1.254 · 1.254±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Chloroform (Slightly), Ethyl Acetate (Slightly)
Aggregatzustand: Crystalline Powder
Farbe: White to pale yellow
BRN: 2207267 · 2207267
InChI: InChI=1S/C12H8O2/c13-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14/h1-8H
InChIKey: ZIPLKLQPLOWLTM-UHFFFAOYSA-N
SMILES: C1=C2C(C=CC=C2)=CC(C=O)=C1C=O
CAS Datenbank: 7149 · 7149-49-7(CAS DataBase Reference)

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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

F: 3-10-23
wgk: 3
hs_code: 29122990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 1 Eintrag

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)