2-Pyrimidinecarbonitrile, 5-chloro- (9CI)
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2-Pyrimidinecarbonitrile, 5-chloro- (9CI)
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CAS No:
38275-56-8
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Formula:
C5H2ClN3
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Chemical Name:
2-Pyrimidinecarbonitrile, 5-chloro- (9CI)
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Synonyms:
2-Pyrimidinecarbonitrile, 5-chloro- (9CI);5-chloropyrimidine-2-carbonitrile;5-CHLOROPYRIMIDINE-2-CARBONITRILE,PURITY:97% MIN(HPLC);2-Cyano-5-chloropyrimidine;5-Chloro-2-pyrimidinecarbonitrile;5-chloropyriMidine-2-carbonitril
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CAS No:
2-Pyrimidinecarbonitrile, 5-chloro- (9CI) Basic Attributes
139.54248
138.993729
DTXSID20356172
2933599090
Safety Information
|Warning|H302+H312+H332 (50%): 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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Pyrimidinecarbonitrile, 5-chloro- (9CI) Use and Manufacturing
3C. 5-Chloropyrimidine-2-carbonitrile A solution of 5-chloro-2-(methylsulfonyl)pyrimidine (3.5 g, 18.1 mmol) in dimethyl sulfoxide (10 mL) was treated portion wise at 10° C. over 10 minutes with sodium cyamide (0.9 g, 18.4 mmol). The reaction mixture was stirred for another 10 minutes diluted with cold water (30 mL) and filtered. The solid was washed with cold water (1.x.30 mL) and dried to obtain (2.05 g, 81percent yield) as a pale yellow solid. ESI-MS: 139 (MH3C. 5-Chloropyrimidine-2-carbonitrile A solution of 5-chloro-2-(methylsulfonyl)pyrimidine (3.5 g, 18.1 mmol) in dimethyl sulfoxide (10 mL) was treated portion wise at 10 C. over 10 minutes with sodium cyamide (0.9 g, 18.4 mmol). The reaction mixture was stirred for another 10 minutes diluted with cold water (30 mL) and filtered. The solid was washed with cold water (1×30 mL) and dried to obtain (2.05 g, 81% yield) as a pale yellow solid. ESI-MS: 139 (MH+).A mixture of A solution of
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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2-Pyrimidinecarbonitrile, 5-chloro- (9CI)
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