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CAS Number: 73742-45-7
5-chloro-6-(chloromethyl)pyrimidine-2,4(1H,3H)-dione

Structure

 5-chloro-6-(chloromethyl)pyrimidine-2,4(1H,3H)-dione
Name: 5-chloro-6-(chloromethyl)pyrimidine-2,4(1H,3H)-dione
Synonyms:
General Information
Product Number: 73742457

CAS Registry Number 73742-45-7
Name:
2,?4(1H,?3H)?-?Pyrimidinedione, 5-?chloro-?6-?(chloromethyl)?-

 

Chemical Formula: C5H4Cl2N2O2
Exact Mass: 193.96
Molecular Weight: 195.00
m/z: 193.96 (100.0%), 195.96 (63.9%), 197.96 (10.2%), 194.97 (5.5%), 196.97 (3.6%)

 

InChI:InChI=1S/C5H4Cl2N2O2/c6-1-2-3(7)4(10)9-5(11)8-2/h1H2,(H2,8,9,10,11)

InChI Key:BXVCXZREYQLVTA-UHFFFAOYSA-N

Canonical SMILES:C(C1=C(C(=O)NC(=O)N1)Cl)Cl

 

Thermal Properties Value Condition Note
Melting Point 270-275 °C   (4)CAS
Melting Point 270-275 °C (decomp)   (5)CAS
Melting Point 266-268 °C   (4)CAS
Melting Point 258-260 °C (decomp) Solv: acetic acid (64-19-7) (1)CAS
Melting Point 225 °C (decomp)   (3)CAS

Specification

98%
References
  1. (1) Corelli, Federico; Farmaco 2004, V59(12), P987-992 CAPLUS
  2. (3) Yano, Shingo; Bioorganic & Medicinal Chemistry 2004, V12(13), P3431-3441 CAPLUS
  3. (4) McNally, Virginia A.; Journal of Pharmacy and Pharmacology 2007, V59(4), P537-547 CAPLUS
  4. (5) Cornforth, J. W.; Journal of the Chemical Society 1948, P1988-9 CAPLUS
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