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CAS Number: 16064-14-5
6-chloroquinazolin-4(1H)-one

Structure

6-chloroquinazolin-4(1H)-one
Name: 6-chloroquinazolin-4(1H)-one
Synonyms:
General Information
Product Number: 16064145

CAS Registry Number 16064-14-5
Name:
4(3H)?-?Quinazolinone, 6-?chloro-
4(1H)-Quinazolinone, 6-chloro- (6CI,7CI,9CI)
4-Quinazolinol, 6-chloro- (8CI)
6-Chloro-4(3H)-quinazolinone
6-Chloro-3,4-dihydroquinazolin-4-one
6-Chloro-4-quinazolinol

 

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/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1-4H,(H,10,11,12)

InChI Key:GOBVWEUSCRFCPB-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1Cl)C(=O)N=CN2

 

Thermal Properties Value Condition Note
Melting Point 268-269 °C Solv: ethanol (64-17-5); water (7732-18-5); ethanol (64-17-5) (3)CAS
Melting Point 265-267 °C   (4)IC
Melting Point 265 °C   (2)CAS
Melting Point 264-265 °C   (5)CAS
Melting Point 264 °C Solv: methanol (67-56-1) (1)CAS
Melting Point 263-265 °C   (6)CAS
Melting Point 263-265 °C   (3)CAS
Melting Point 262.5-263.5 °C   (7)CAS
Melting Point 262-263 °C Solv: acetic acid (64-19-7) (8)CAS
Melting Point 259-260 °C Solv: ethanol (64-17-5) (9)CAS
Melting Point 257-260 °C   (10)CAS

Specification

98%

References
  1. (1) Kundu, Sandip K.; ARKIVOC (Gainesville, FL, United States) 2008, (2), P33-42 CAPLUS
  2. (2) Oerfi, Laszlo; Current Medicinal Chemistry 2004, V11(19), P2549-2553 CAPLUS
  3. (3) Chiang, Ming-Chien; Huaxue Xuebao 1956, V22, P235-42 CAPLUS
  4. (4) LeMahieu, Ronald A.; Journal of Medicinal Chemistry 1983, V26(3), P420-5 CAPLUS
  5. (5) Maillard, Jacques; US 3047462 1962 CAPLUS
  6. (6) Magidson, O. Yu.; Zhurnal Obshchei Khimii 1938, V8, P1797-1809(in English, 1809) CAPLUS
  7. (7) Endicott, Margaret M.; Journal of the American Chemical Society 1946, V68, P1303-4 CAPLUS
  8. (8) Sinha, Girish Kumar; Oriental Journal of Chemistry 2010, V26(4), P1401-1406 CAPLUS
  9. (9) You, Junhui; ARKIVOC (Gainesville, FL, United States) 2008, (17), P1-11 CAPLUS
  10. (10) Ouyang, Guiping; Molecules 2006, V11(6), P383-392 CAPLUS
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