2-Bromo-4-(trifluoro methyl)pryrimidine
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2-Bromo-4-(trifluoro methyl)pryrimidine
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CAS No:
785777-87-9
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Formula:
C5H2BrF3N2
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Chemical Name:
2-Bromo-4-(trifluoro methyl)pryrimidine
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Synonyms:
2-bromo-4-(trifluoromethyl)pyrimidine;2-Bromo-4-(trifluoro methyl)pryrimidine;Pyrimidine, 2-bromo-4-(trifluoromethyl)-;ACMC-209pem;SCHEMBL1337601;CTK5I9099;KS-00000DYE;DTXSID60465813;ABBYPHARMA AP-11-1454;ANW-37196
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CAS No:
2-Bromo-4-(trifluoro methyl)pryrimidine Basic Attributes
226.983
225.935333
DTXSID60465813
2933599090
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, 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-Bromo-4-(trifluoro methyl)pryrimidine Use and Manufacturing
Synthesis of 2-bromo-4-(trifluoromethyl) pyrimidine:[0605] To a stirred solution of 6-(trifluoromethyl)-l, 2-dihydropyrimidin-2-ol (2 g, 12.19 mmol) in toluene (40 mL) under argon atmosphere were added phosphorous oxybromide (5.24 g, 18.20 mmol), N, N-dimethyl aniline (156 mg, 1.20 mmol) at RT; heated to 100 °C and stirred for 3 h. The reaction was monitored by TLC; after completion of the reaction, the reaction mixture was diluted with water (50 mL) and extracted with hexanes (2 x 50 mL). The combined organic extracts were washed with water (50 mL), dried over sodium sulphate, and concentrated in vacuo to obtain 2- bromo-4-(trifluoromethyl) pyrimidine (800 mg, 29percent) as light yellow oil. [0606] 1H-NMR (CDCls, 500 MHz): δ 8.82 (d, 1H), 7.64 (d, 1H); TLC: 10percent EtOAc/ Hexanes (R 0.8).
Computed Properties
Molecular Weight:226.98
XLogP3:2.1
Hydrogen Bond Acceptor Count:5
Exact Mass:225.93535
Monoisotopic Mass:225.93535
Topological Polar Surface Area:25.8
Heavy Atom Count:11
Complexity:138
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-Bromo-4-(trifluoro methyl)pryrimidine
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