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2-CHLOROPYRIMIDINE-4-CARBOXAMIDE

2-CHLOROPYRIMIDINE-4-CARBOXAMIDE structure

CAS No:
22536-66-9
Formula:
C5H4ClN3O
Chemical Name:
2-CHLOROPYRIMIDINE-4-CARBOXAMIDE
Synonyms:
2-CHLOROPYRIMIDINE-4-CARBOXAMIDE;4-(Aminocarbonyl)-2-chloropyrimidine, 4-Carbamoyl-2-chloropyrimidine;2-Chloro-pyrimidine-4-carboxylic acid amide;2-chloro-4-Pyrimidinecarboxamide;NSC 60802
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Light yellow solid

2-CHLOROPYRIMIDINE-4-CARBOXAMIDE Basic Attributes

Molecular Weight：

157.55776

Exact Mass：

157.00400

NSC Number：

60802

DSSTox ID：

DTXSID80289417

HScode：

2933599090

Characteristics

PSA：

68.9

XLogP3：

0.4

Density：

1.478g/cm3

Boiling Point：

454.7°C at 760 mmHg

Flash Point：

228.8ºC

Refractive Index：

1.596

Vapor Pressure：

1.87E-08mmHg at 25°C

Safety Information

hazard class code：

36/37/38

safety instructions：

26-36

Precautionary statement(s)：

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

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

2-CHLOROPYRIMIDINE-4-CARBOXAMIDE Use and Manufacturing

A solution of 2-chloropyrimidine-4-carboxylic acid (500 mg, 1.00 equiv) in thionyl chloride (10 mL) was heated to 90 °C for 30 minutes and then was concentrated under vacuum. The reaction was treated with 20 mL of ammonium hydroxide at 0 °C. The resulting solution was extracted with dichloromethane, dried over anhydrous sodium sulfate, and concentrated under vacuum. Thisresulted in 320 mg of the title compound as a white solid. LC-MS (ES, mlz): 158 [M+H].

Computed Properties

Molecular Weight:157.56
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:157.0042895
Monoisotopic Mass:157.0042895
Topological Polar Surface Area:68.9
Heavy Atom Count:10
Complexity:141
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-CHLOROPYRIMIDINE-4-CARBOXAMIDE

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Latest News
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2-CHLOROPYRIMIDINE-4-CARBOXAMIDE

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