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CAS Number: 6141-13-5
2-chloroquinazoline

Structure

 2-chloroquinazoline
Name: 2-chloroquinazoline
Synonyms:
General Information
Product Number: 6141135

CAS Registry Number 6141-13-5
Name:
Quinazoline, 2-?chloro-
2-Chloroquinazoline

 

Chemical Formula: C8H5ClN2
Exact Mass: 164.01
Molecular Weight: 164.59
m/z: 164.01 (100.0%), 166.01 (32.0%), 165.02 (8.7%), 167.01 (3.0%)

 

InChI:InChI=1S/C8H5ClN2/c9-8-10-5-6-3-1-2-4-7(6)11-8/h1-5H

InChI Key:WMPTYRGXBUYONY-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C=NC(=N2)Cl

 

Thermal Properties Value Condition Note
Melting Point 108 °C Solv: ligroine (8032-32-4) (5)IC
Melting Point 108 °C Solv: ligroine (8032-32-4) (6)CAS
Melting Point 104-106 °C   (7)IC
Melting Point 101-109 °C   (8)CAS
Melting Point 96.5-98.9 °C   (4)CAS

Specification

98%
References
  1. (4) Henriksen, Signe Teuber; Tetrahedron Letters 2006, V47(47), P8251-8254 CAPLUS
  2. (5) Sasse, Klaus; Synthesis 1978, (5), P379-82 CAPLUS
  3. (6) Favini, Giorgio; Gazzetta Chimica Italiana 1960, V90, P369-81 CAPLUS
  4. (7) Busby, Reginald E.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1979, (11), P2786-8 CAPLUS
  5. (8) Deng, Jing; Journal of Medicinal Chemistry 2011, V54(13), P4508-4522 CAPLUS
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