4-chloro-2-phenylpyrimidine
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4-chloro-2-phenylpyrimidine
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CAS No:
14790-42-2
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Formula:
C10H7ClN2
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Chemical Name:
4-chloro-2-phenylpyrimidine
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Synonyms:
4-chloro-2-phenylpyrimidine;4-CHLORO-2-PHENYLPYRIMIDI...;NSC 88809;Pyrimidine, 4-chloro-2-phenyl-
- Categories:
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CAS No:
Characteristics
25.8
2.8
1.245±0.06 g/cm3(Predicted)
73-74℃
213.2±23.0 °C(Predicted)
102.8ºC
1.593
0.242mmHg at 25°C
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.
4-chloro-2-phenylpyrimidine Use and Manufacturing
A stirring suspension of 21 (2.50 g, 14.5 mmol) and phosphorus oxychloride (17 mL) in a 100 mL three-necked round-bottomed flask equipped with a magnetic stirrer and reflux condenser, was heated at reflux for 3 hours and slowly formed a clear solution. The solution was concentrated under reduced pressure and the residue was poured onto ice (40 g). The obtain precipitate was filtered, washed with water, and vacuum dried to give 22 (2.10 g, 11.0 mmol, 76percent yield) as a white solid. M+1 (obs) = 191.0 ; Rt = 4.22.
Computed Properties
Molecular Weight:190.63
XLogP3:2.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:190.0297759
Monoisotopic Mass:190.0297759
Topological Polar Surface Area:25.8
Heavy Atom Count:13
Complexity:157
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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