2,4-Dichloro-6,7-dimethoxyquinazoline

HCID 520327CAS 27631-29-4

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Grundinformationen

Standard-SMILES: COc1cc2nc(Cl)nc(Cl)c2cc1OC
InChIKey: DGHKCBSVAZXEPP-UHFFFAOYSA-N
Summenformel: C10H8Cl2N2O2
Durchschnittliche Molmasse: 259,09 g/mol
Monoisotopische Masse: 257,99628286

Namen und Bezeichner

Bevorzugter Name: 2,4-Dichloro-6,7-dimethoxyquinazoline
IUPAC: 2,4-dichloro-6,7-dimethoxyquinazoline
Englischer Name: 2,4-Dichloro-6,7-dimethoxyquinazoline
Summenformel: C10H8Cl2N2O2
Molmasse: 259.09

Namen und Synonyme

2,4-Dichloro-6,7-dimethoxyquinazoline27631-29-4Quinazoline, 2,4-dichloro-6,7-dimethoxy-Doxazosin impurity E2-Chloro-6,7-dimethoxyquinazolin-4-yl ChlorideUNII-B6720H065IDoxazosin mesilate impurity E [EP]B6720H065IDTXSID00182012DOXAZOSIN MESILATE IMPURITY E [EP IMPURITY]DOXAZOSIN MESILATE IMPURITY E (EP IMPURITY)RefChem:82341

Weitere Namen anzeigen

C10H8Cl2N2O2TIMTEC-BB SBB000972Doxazosin Impurity 67-diMethoxyquinoazolineDoxazosin Related CoMpound EDoxazosin mesylate impurity E2,4-Dichloro-6,7-dimethoxyquin

Doxazosin mesilate impurity EDTXCID10104503608-117-4DGHKCBSVAZXEPP-UHFFFAOYSA-N2,4-Dichloro-6,7-dimethoxy-quinazolineMFCD00051733Doxazosin EP Impurity ECS-M1592

Datenbank-Bezeichner

CAS: 27631-29-4
PubChem CID: 520327
DTXSID: DTXSID00182012
UNII: B6720H065I
EC Number: 608-117-4
Nikkaji: J92.411C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,4
Polarare Oberfläche (TPSA): 44,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 16
Formalladung: 0
Komplexität: 245

Physikochemische Eigenschaften

Schmelzpunkt: 175 · 175-178 °C (lit.)
Siedepunkt: 340.5 · 340.5±42.0 °C(Predicted)
Dichte: 1.5369 · 1.5369 (rough estimate)
Brechungsindex: 1.61 · 1.6100 (estimate)
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
pka: -0.49 · -0.49±0.30(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: Pale yellow to beige
Wasserlöslichkeit: Insoluble in water.
BRN: 190331 · 190331
InChI: 1S/C10H8Cl2N2O2/c1-15-7-3-5-6(4-8(7)16-2)13-10(12)14-9(5)11/h3-4H,1-2H3
InChIKey: DGHKCBSVAZXEPP-UHFFFAOYSA-N
SMILES: COc1cc2nc(Cl)nc(Cl)c2cc1OC
CAS Datenbank: 27631 · 27631-29-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (98%): 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 50 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (98%)

Sicherheitsdaten

wgk: 3
hs_code: 29334900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2,4-Dichloro-6,7-dimethoxyquinazoline is used as an intermediate in the preparation of potential inhibitors of epidermal growth factor receptor kinases. It is also used as an intermediate in the preparation of terazosin.