4-Chloro-6-methylpyrimidine
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4-Chloro-6-methylpyrimidine
structure -
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CAS No:
3435-25-4
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Formula:
C5H5ClN2
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Chemical Name:
4-Chloro-6-methylpyrimidine
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Synonyms:
Pyrimidine,4-chloro-6-methyl-;4-Chloro-6-methylpyrimidine;6-Chloro-4-methylpyrimidine
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CAS No:
Characteristics
25.8
1.5
Pale yellow Solid
1.234
37 °C
59-62 °C @ Press: 22 Torr
90℃
1.530
Slightly soluble in water.
Safety Information
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|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|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Chloro-6-methylpyrimidine Use and Manufacturing
To a solution of 4, 6-dichloropyrimidine (1.0 g, 6.71 mmol) in tetrahydrofuran (30 mL) was added l-methyl-2-pyrrolidinone (3.2 mL, 6.71 mmol), iron(III) acetylacetonate (0.119 g, 0.336 mmol) and methylmagnesium bromide (2.237 mL, 6.71 mmol). The reaction mixture was stirred at RT for 3 h, then it was quenched with water and extracted with ethyl acetate (100 mL). The organic layer was separated out and concentrated under reduced pressure. The residue was purified by silica gel chromatography (20percent ethyl acetate-hexane) to afford 4-chloro-6- methylpyrimidine (0.6 g, 3.08 mmol, 46percent yield) as a colorless gummy liquid. LCMS (ESI) m/e 129.0 [(M+H)
Computed Properties
Molecular Weight:128.56
XLogP3:1.5
Hydrogen Bond Acceptor Count:2
Exact Mass:128.0141259
Monoisotopic Mass:128.0141259
Topological Polar Surface Area:25.8
Heavy Atom Count:8
Complexity:76.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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