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CAS Number: 60233-66-1
5-chloroquinazolin-4(1H)-one

Structure

 5-chloroquinazolin-4(1H)-one
Name: 5-chloroquinazolin-4(1H)-one
Synonyms:
General Information
Product Number: 60233661

CAS Registry Number 60233-66-1
Name:
4(3H)?-?Quinazolinone, 5-?chloro-
4(1H)-Quinazolinone, 5-chloro- (6CI,9CI)
5-Chloro-4(3H)-quinazolinone
5-Chloro-4-quinazolinone
5-Chloroquinazolin-4(3H)-one
NSC 601362

 

Chemical Formula: C8H5ClN2O
Exact Mass: 180.01
Molecular Weight: 180.59
m/z: 180.01 (100.0%), 182.01 (32.2%), 181.01 (9.4%), 183.01 (2.8%)

 

InChI:InChI=1S/C8H5ClN2O/c9-5-2-1-3-6-7(5)8(12)11-4-10-6/h1-4H,(H,10,11,12)

InChI Key:ZDPCOXNOQQRKCN-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C(=C1)Cl)C(=O)N=CN2

 

Thermal Properties Value Condition Note
Melting Point 234-235 °C   (3)CAS
Melting Point 213 °C   (2)CAS
Melting Point 210 °C   (4)CAS
Melting Point 210 °C   (5)CAS
Melting Point See full text   (6)CAS

Specification

98%
References
  1. (2) Oerfi, Laszlo; Current Medicinal Chemistry 2004, V11(19), P2549-2553 CAPLUS
  2. (3) Scarborough, Homer C.; US 3184462 1965 CAPLUS
  3. (4) Baker, Bernard R.; US 2648665 1953 CAPLUS
  4. (5) Baker, Bernard R.; US 2811524 1957 CAPLUS
  5. (6) Baker, Bernard R.; US 2625549 1953 CAPLUS
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