2,4-Dichloro-5-methylpyrimidine
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2,4-Dichloro-5-methylpyrimidine
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CAS No:
1780-31-0
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Formula:
C5H4Cl2N2
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Chemical Name:
2,4-Dichloro-5-methylpyrimidine
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Synonyms:
Pyrimidine,2,4-dichloro-5-methyl-;2,4-Dichloro-5-methylpyrimidine;5-Methyl-2,4-dichloropyrimidine;NSC 37532;2,6-Dichloro-5-methylpyrimidine
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CAS No:
Characteristics
25.8
2.5
white to off white low melting solid
1.39 g/mL at 25 °C(lit.)
26 °C
235 °C
>230 °F
1.6300 (estimate)
Soluble in chloroform, ether, ethyl acetate and toluene
−20°C
0.079mmHg at 25°C
Safety Information
III
8
UN 3261 8/PG 2
3
34
26-36/37/39-45-27
C
Stable at normal temperatures and pressures.
P280-P305 + P351 + P338-P310
H314
|Danger|H314 (92.16%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 51 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2,4-Dichloro-5-methylpyrimidine Use and Manufacturing
6-Methyluracyl (1 g, 7.93 mmol) was added to phosphoryl chloride (7 eq, 5 ml) and the mixture was heated at reflux for 3 h. The mixture was poured onto ice and the organic layer was extracted with chloroform (3times, 20 ml) and dried over anhydrous MgSO4. The solvents were evaporated to give the dichloride as yellow crystals (0.62 g, 48percent). 1H NMR (400 MHz, CDCI3) 5 8.35 (s, 1 H), 2.39(s, 3H); 13C NMR (100 MHz, CDCI3) 6 162.5, 160.0, 158.2, 129.1, 15.8. The 1H NMR spectrum was in accordance with literature:Wang, H., K. Wen, L. Wang, Y. Xiang, X. Xu, Y. Shen and Z. Sun (2012).Molecules, 2012, 17(4), 4533-4544.
Pyrimidine, 2,4-dichloro-5-methyl-: ACTIVE
Computed Properties
Molecular Weight:163.00
XLogP3:2.5
Hydrogen Bond Acceptor Count:2
Exact Mass:161.9751535
Monoisotopic Mass:161.9751535
Topological Polar Surface Area:25.8
Heavy Atom Count:9
Complexity:99
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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