5-Chloro-2,4,6(1H,3H,5H)-pyrimidinetrione

CAS Registry Number®

19645-77-3
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CAS Name

5-Chloro-2,4,6(1H,3H,5H)-pyrimidinetrione

Molecular Formula

C4H3ClN2O3

Molecular Mass

162.53

Cite this Page

5-Chloro-2,4,6(1H,3H,5H)-pyrimidinetrione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=19645-77-3 (retrieved 2024-09-06) (CAS RN: 19645-77-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    345-348 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C4H3ClN2O3/c5-1-2(8)6-4(10)7-3(1)9/h1H,(H2,6,7,8,9,10)

InChIKey

InChIKey=XDDWKERRJNWQIL-UHFFFAOYSA-N

SMILES

ClC1C(=O)NC(=O)NC1=O

Canonical SMILES

O=C1NC(=O)C(Cl)C(=O)N1

Other Names for this Substance

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-chloro-
  • Barbituric acid, 5-chloro-
  • 5-Chloro-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-Chlorobarbituric acid
  • 5-Chloro-2,4,6-trihydroxypyrimidine

Deleted or Replaced CAS Registry Numbers

1194-77-0, 41949-09-1, 104581-94-4, 882755-25-1