2,3-Dimethoxypyridine

HCID 4657809CAS 52605-97-7

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Grundinformationen

Standard-SMILES: COc1cccnc1OC
InChIKey: QHUHPERZCBUMRK-UHFFFAOYSA-N
Summenformel: C7H9NO2
Durchschnittliche Molmasse: 139,15 g/mol
Monoisotopische Masse: 139,06332853

Namen und Bezeichner

Bevorzugter Name: 2,3-Dimethoxypyridine
IUPAC: 2,3-dimethoxypyridine
Englischer Name: 2,3-Dimethoxypyridine
Summenformel: C7H9NO2
Molmasse: 139.15

Namen und Synonyme

2,3-Dimethoxypyridine52605-97-7DTXSID50405309RefChem:442456DTXCID70356162676-530-7PYRIDINE, 2,3-DIMETHOXY-MFCD030950432,3-Dimethoxy-pyridine;dimethoxypyridine2,3-dimethoxy-pyridineSCHEMBL63365

Weitere Namen anzeigen

2,3-Dimethoxypyridine 96%2,3-Dimethoxypyridine ,98%2,3-Dimethoxypyridine ISO 9001：2015 REACH

Pyridine, 2,?3-?dimethoxy-SCHEMBL2067567SCHEMBL2264178SCHEMBL2405925SCHEMBL7055362SCHEMBL29612256QHUHPERZCBUMRK-UHFFFAOYSA-NAKOS006223401

Datenbank-Bezeichner

CAS: 52605-97-7
PubChem CID: 4657809
DTXSID: DTXSID50405309
EC Number: 676-530-7
Nikkaji: J328.334H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 31,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 97

Physikochemische Eigenschaften

Schmelzpunkt: 121 · 121-122 °C
Siedepunkt: 98 · 98-100°C 16mm
Dichte: 1 · 1,104 g/cm3
Brechungsindex: 1.5205 · 1.5205
Flammpunkt: 98 · 98-100°C/16mm
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Chloroform, Ethyl Acetate
Aggregatzustand: Yellow Liquid
pka: 4.7 · 4.70±0.10(Predicted)
BRN: 1526067 · 1526067
CAS Datenbank: 52605 · 52605-97-7(CAS DataBase Reference)

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 (100%): 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 5 reports by companies from 1 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.