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4,5-DICHLOROPYRIMIDINE

4,5-DICHLOROPYRIMIDINE structure

CAS No:
6554-61-6
Formula:
C4H2Cl2N2
Chemical Name:
4,5-DICHLOROPYRIMIDINE
Synonyms:
4,5-dichloropyrimidine;PYRIMIDINE, 4,5-DICHLORO-;Pyrimidine,4,5-dichloro-;PubChem12434;SCHEMBL691236;CTK5C2859;KS-00000KOT;DTXSID00468383;ACT04659;ANW-49796
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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4,5-DICHLOROPYRIMIDINE Basic Attributes

Molecular Weight：

148.97808

Exact Mass：

147.959503

DSSTox ID：

DTXSID00468383

HScode：

2933599090

Characteristics

PSA：

25.8

XLogP3：

1.8

Density：

1.5±0.1 g/cm3

Boiling Point：

219.7°C at 760 mmHg

Flash Point：

107.6±7.4 °C

Refractive Index：

1.559

Safety Information

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

4,5-DICHLOROPYRIMIDINE Use and Manufacturing

Production of 4, 5-Dichloropyrimidine Example 26 Example 71 Example 21 1.6 ml dimethylamine is added to a solution of 112.5 g (673, 7 mmol) 5-chloro-6-oxo-1, 6-dihydropyrimidin-1-ium chloride in 630 ml phosphorus oxychloride and heated for 3 hours under reflux. The excess phosphorus oxychloride is then distilled off under reduced pressure. After cooling, the residue is poured onto 1.5 l icewater, extracted using 500 ml dichloromethane, the organic phase is dried over sodium sulphate and concentrated under reduced pressure. 72.3 g (66.3percent of theoretical yield) 4, 5-dichloropyrimidine is obtained. HPLC: logP=1.35

Computed Properties

Molecular Weight:148.98
XLogP3:1.8
Hydrogen Bond Acceptor Count:2
Exact Mass:147.9595035
Monoisotopic Mass:147.9595035
Topological Polar Surface Area:25.8
Heavy Atom Count:8
Complexity:78.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4,5-Dichloropyrimidine

CAS No.: 6554-61-6

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