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CAS Number: 7142-09-8
6-chloro-2-methylquinazolin-4(1H)-one

Structure

6-chloro-2-methylquinazolin-4(1H)-one
Name: 6-chloro-2-methylquinazolin-4(1H)-one
Synonyms:
General Information
Product Number: 7142098

CAS Registry Number 7142-09-8
Name:
4(3H)?-?Quinazolinone, 6-?chloro-?2-?methyl-
4(1H)-Quinazolinone, 6-chloro-2-methyl- (9CI)
6-Chloro-2-methylquinazolin-4(3H)-one
6-Chloro-4-hydroxy-2-methylquinazoline
NSC 45786

 

Chemical Formula: C9H7ClN2O
Exact Mass: 194.02
Molecular Weight: 194.62
m/z: 194.02 (100.0%), 196.02 (32.0%), 195.03 (9.9%), 197.03 (3.2%)

 

InChI:InChI=1S/C9H7ClN2O/c1-5-11-8-3-2-6(10)4-7(8)9(13)12-5/h2-4H,1H3,(H,11,12,13)

InChI Key:VVMQUCPOLAQEBB-UHFFFAOYSA-N

Canonical SMILES:CC1=NC(=O)C2=C(N1)C=CC(=C2)Cl

 

Thermal Properties Value Condition Note
Melting Point >325 °C   (7)IC
Melting Point 294-296 °C   (4)CAS
Melting Point 292-294 °C   (2)CAS
Melting Point 289-291 °C   (6)CAS
Melting Point 287 °C   (8)CAS
Melting Point 285 °C Solv: butyl acetate (123-86-4) (9)IC
Melting Point 282-284 °C   (10)CAS

Specification

98%

References
  1. (1) Huang, Cheng; Chemical Communications (Cambridge, United Kingdom) 2008, (47), P6333-6335 CAPLUS
  2. (2) Zhang, Xiaodong; Green Chemistry 2009, V11(11), P1881-1888 CAPLUS
  3. (3) Baghbanzadeh, Mostafa; Journal of Combinatorial Chemistry 2009, V11(4), P676-684 CAPLUS
  4. (4) Liu, Xiaowei; Angewandte Chemie, International Edition 2009, V48(2), P348-351 CAPLUS
  5. (6) Okano, Masahiko; Bioorganic & Medicinal Chemistry 2009, V17(1), P119-132 CAPLUS
  6. (7) Jiang, Jack B.; Journal of Medicinal Chemistry 1990, V33(6), P1721-8 CAPLUS
  7. (8) Tomisek, Arthur J.; Journal of the American Chemical Society 1948, V70, P2423-5 CAPLUS
  8. (9) Cohen, Victor Israel; Journal of Heterocyclic Chemistry 1978, V15(8), P1415-17 CAPLUS
  9. (10) Desai, D. R.; Journal of the Indian Chemical Society 1966, V43(5), P351-5 CAPLUS
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