4-Chlor-2-phenylchinazolin

4-Chloro-2-phenylquinazoline

HCID 80977

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Grundinformationen

CAS: 6484-25-9
Standard-SMILES: Clc1nc(-c2ccccc2)nc2ccccc12
InChIKey: OBHKONRNYCDRKM-UHFFFAOYSA-N
Summenformel: C14H9ClN2
Durchschnittliche Molmasse: 240,69 g/mol
Monoisotopische Masse: 240,04542597

Namen und Bezeichner

Bevorzugter Name: 4-Chloro-2-phenylquinazoline
IUPAC: 4-chloro-2-phenylquinazoline
Lokaler Name: 4-Chlor-2-phenylchinazolin
Englischer Name: 4-Chloro-2-phenylquinazoline
Summenformel: C14H9ClN2
Molmasse: 240.69

Namen und Synonyme

4-Chloro-2-phenylquinazoline6484-25-9Am-ex-olEINECS 229-346-2OBHKONRNYCDRKM-UHFFFAOYSA-DTXSID00215132NSC 400965RefChem:98401DTXCID00137623229-346-2InChI=1/C14H9ClN2/c15-13-11-8-4-5-9-12(11)16-14(17-13)10-6-2-1-3-7-10/h1-9HOBHKONRNYCDRKM-UHFFFAOYSA-N

Weitere Namen anzeigen

AKOS 93518AM-EX-OL(R)am-ex-ol tmAM-ex-OL®4-Chloro-2-phenyl-quizoline

Quinazoline, 4-chloro-2-phenyl-4-chloro-2-phenyl-quinazoline2-PHENYL-4-CHLOROQUINAZOLINEMFCD00006713NSC-400965NSC400965phenyl-4-chloroquinazoline2-phenyl 4-chloroquinazoline

Datenbank-Bezeichner

CAS: 6484-25-9
PubChem CID: 80977
DTXSID: DTXSID00215132
UNII: 2QRD56Y64F
EC Number: 229-346-2
Nikkaji: J236D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,5
Polarare Oberfläche (TPSA): 25,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 17
Formalladung: 0
Komplexität: 253

Experimentelle und physikochemische Eigenschaften

LogP4.47

Physikochemische Eigenschaften

Schmelzpunkt: 124 · 124-126 °C(lit.)
Siedepunkt: 383.11 °C · 383.11°C (rough estimate)
Dichte: 1.285 · 1.285
Brechungsindex: 1.5749 · 1.5749 (estimate)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand: Crystalline Powder
pka: 0.67 · 0.67±0.30(Predicted)
Farbe: Slightly yellow to yellow
InChI: 1S/C14H9ClN2/c15-13-11-8-4-5-9-12(11)16-14(17-13)10-6-2-1-3-7-10/h1-9H
InChIKey: OBHKONRNYCDRKM-UHFFFAOYSA-N
SMILES: Clc1nc(nc2ccccc12)-c3ccccc3
CAS Datenbank: 6484 · 6484-25-9(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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationQuinazoline, 4-chloro-2-phenyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29339980
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

Verwenden4-Chloro-2-phenylquinazoline can be involved in the synthesis of biologically active molecules including: Nitrotriazole amines or nitroimidazole amines for use as antitrypanosomal activity and mammalian cytotoxicity.