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CAS Number: 13165-35-0
7-chloroquinazoline-2,4(1H,3H)-dione

Structure

 7-chloroquinazoline-2,4(1H,3H)-dione
Name: 7-chloroquinazoline-2,4(1H,3H)-dione
Synonyms:
General Information
Product Number: 13165350

CAS Registry Number 13165-35-0
Name:
2,?4(1H,?3H)?-?Quinazolinedione, 7-?chloro-
7-Chloro-2,4(1H,3H)-quinazolinedione
7-Chloro-1H-quinazoline-2,4-dione
7-Chloro-2,4-dioxo-1,2,3,4-tetrahydroquinazoline
NSC 60434

 

Chemical Formula: C8H5ClN2O2
Exact Mass: 196.00
Molecular Weight: 196.59
m/z: 196.00 (100.0%), 198.00 (32.0%), 197.01 (8.8%), 199.00 (3.0%)

 

InChI:InChI=1S/C14H16ClNO/c15-14-7-9-16(8-6-13(14)11-17)10-12-4-2-1-3-5-12/h1-5,11H,6-10H2

InChI Key:TVUIYWDZNFGFTC-UHFFFAOYSA-N

Canonical SMILES:C1CN(CCC(=C1C=O)Cl)CC2=CC=CC=C2

 

Thermal Properties Value Condition Note
Melting Point 360-362 °C   (6)CAS
Melting Point 360-362 °C Solv: acetic acid (64-19-7) (7)CAS
Melting Point 347-348 °C   (8)CAS
Melting Point >330 °C   (9)IC
Melting Point >300 °C   (3)CAS
Melting Point >300 °C   (2)CAS
Melting Point >300 °C Solv: ethanol (64-17-5) (5)CAS
Melting Point >300 °C Solv: ethanol (64-17-5) (10)IC

Specification

98%
References
  1. (2) Gao, Jian; Tetrahedron 2010, V66(23), P4063-4067 CAPLUS
  2. (3) Mizuno, Takumi; Synthesis 2007, (16), P2524-2528 CAPLUS
  3. (5) Shi, Da-Qing; Tetrahedron 2007, V63(39), P9764-9773 CAPLUS
  4. (6) Russo, Filippo; Annali di Chimica (Rome, Italy) 1966, V56(8-9), P839-51 CAPLUS
  5. (7) Kikelj, D.; Science of Synthesis 2004, V16, P573-749 CAPLUS
  6. (8) Curd, F. H. S.; Journal of the Chemical Society 1948, P1759-66 CAPLUS
  7. (9) Lalezari, Iraj; Journal of Heterocyclic Chemistry 1984, V21(1), P5-7 CAPLUS
  8. (10) El-Ashmawi, M. I.; Pharmazie 1976, V31(9), P601-3 CAPLUS
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