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CAS Number: 1640-60-4
6-chloroquinazoline-2,4(1H,3H)-dione

Structure

6-chloroquinazoline-2,4(1H,3H)-dione
Name: 6-chloroquinazoline-2,4(1H,3H)-dione
Synonyms:
General Information
Product Number: 1640604

CAS Registry Number 1640-60-4
Name:
2,?4(1H,?3H)?-?Quinazolinedione, 6-?chloro-
2,4-Quinazolinediol, 6-chloro- (6CI)
6-Chloro-1,2,3,4-tetrahydro-2,4-quinazolinedione
6-Chloro-2,4(1H,3H)-quinazolinedione
6-Chloro-2,4-dihydroxyquinazoline
6-Chloro-2,4-dioxo-1,2,3,4-tetrahydroquinazoline

 

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/C8H5ClN2O2/c9-4-1-2-6-5(3-4)7(12)11-8(13)10-6/h1-3H,(H2,10,11,12,13)

InChI Key:IGWJEWGQUFOVDP-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1Cl)C(=O)NC(=O)N2

 

Thermal Properties Value Condition Note
Melting Point 360 °C Solv: acetic acid (64-19-7) (9)CAS
Melting Point 345-348 °C   (10)CAS
Melting Point 312-315 °C   (11)CAS
Melting Point >300 °C   (5)CAS
Melting Point >300 °C   (6)CAS

Specification

98%

References
  1. (5) Mizuno, Takumi; Synthesis 2007, (16), P2524-2528 CAPLUS
  2. (6) Gao, Jian; Tetrahedron 2010, V66(23), P4063-4067 CAPLUS
  3. (9) Chiang, Ming-Chien; Huaxue Xuebao 1957, V23, P391-402;in English, 403-4 CAPLUS
  4. (10) Curd, F. H. S.; Journal of the Chemical Society 1948, P1759-66 CAPLUS
  5. (11) Kutepov, D. F.; Zhurnal Organicheskoi Khimii 1965, V1(1), P191-4 CAPLUS
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