5-Pyrimidinecarbonitrile, 2-chloro- (7CI,8CI)
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5-Pyrimidinecarbonitrile, 2-chloro- (7CI,8CI)
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CAS No:
1753-50-0
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Formula:
C5H2ClN3
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Chemical Name:
5-Pyrimidinecarbonitrile, 2-chloro- (7CI,8CI)
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Synonyms:
5-Pyrimidinecarbonitrile, 2-chloro- (7CI,8CI);5-Pyrimidinecarbonitrile, 2-chloro-;2-Chloro-5-pyrimidinecarbonitrile;2-Chloro-5-pyriMidinecarb...;2-Chloro-5-pyriMidinecarbonitril
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CAS No:
5-Pyrimidinecarbonitrile, 2-chloro- (7CI,8CI) Basic Attributes
139.54248
138.993729
DTXSID00614368
2933599090
Characteristics
49.6
0.9
1.43±0.1 g/cm3(Predicted)
130-132 °C
331.3±15.0 °C(Predicted)
154.2±20.4 °C
1.568
0.000157mmHg at 25°C
Safety Information
P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501
H301+H311+H331
|Warning|H302 (98.51%): Harmful if swallowed [Warning Acute toxicity, oral]|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 67 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-Pyrimidinecarbonitrile, 2-chloro- (7CI,8CI) Use and Manufacturing
A 500 mL two-necked flask was added with 5-bromopyrimidin-2-amine (5.18 g, 30 mmol), Zn(CN)Step A. Preparation of 2-chloropyrimidine-5 -carbonitrile[00222] To a stirring solution of 2-aminopyrimidine-5 -carbonitrile (1.0 g, 8.33 mmol) in CHIn a 3-necked, round-bottom flask is placed 5.4 mL of concentrated HCl (65 mmol). The solution is cooled to 0 °C and 2-amino-5-cyanopyrimidine (515 mg, 4.28 mmol) is added portion wise with stirring until a homogeneous solution is obtained. The solution is then cooled to -15
Computed Properties
Molecular Weight:139.54
XLogP3:0.9
Hydrogen Bond Acceptor Count:3
Exact Mass:138.9937248
Monoisotopic Mass:138.9937248
Topological Polar Surface Area:49.6
Heavy Atom Count:9
Complexity:130
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-Pyrimidinecarbonitrile, 2-chloro- (7CI,8CI)
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