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Home > Encyclopedia > 5-Pyrimidinecarboxylic acid, 2-chloro-, ethyl ester

5-Pyrimidinecarboxylic acid, 2-chloro-, ethyl ester

5-Pyrimidinecarboxylic acid, 2-chloro-, ethyl ester structure

5-Pyrimidinecarboxylic acid, 2-chloro-, ethyl ester 

structure
  • CAS No:

    89793-12-4

  • Formula:

    C7H7ClN2O2

  • Chemical Name:

    5-Pyrimidinecarboxylic acid, 2-chloro-, ethyl ester

  • Synonyms:

    5-Pyrimidinecarboxylic acid,2-chloro-,ethyl ester;2-Chloro-5-(ethoxycarbonyl)pyrimidine;2-Chloropyrimidine-5-carboxylic acid ethyl ester;Ethyl 2-chloro-5-pyrimidinecarboxylate

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

Description

White to light yellow liquid

5-Pyrimidinecarboxylic acid, 2-chloro-, ethyl ester Basic Attributes

186.59568

186.60

DTXSID50440699

29339900

Characteristics

52.1

1.5

Solid

1.3±0.1 g/cm3

61 °C

80℃/760mm

143.8±20.4 °C

1.527

Safety Information

IRRITANT

20/21/22

36/37

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

H302+H312+H332

|Warning|H302+H312+H332 (33.33%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

5-Pyrimidinecarboxylic acid, 2-chloro-, ethyl ester Use and Manufacturing

Ethyl 2-Chlorpyrimidine-5-carboxylate is used in the synthesis of Retinoid x receptor agonists (RXR) that are used in the treatment of cancers.

Computed Properties

Molecular Weight:186.59
XLogP3:1.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:186.0196052
Monoisotopic Mass:186.0196052
Topological Polar Surface Area:52.1
Heavy Atom Count:12
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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