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4,6-Dichloro-2-methylpyrimidine

4,6-Dichloro-2-methylpyrimidine structure

CAS No:
1780-26-3
Formula:
C5H4Cl2N2
Chemical Name:
4,6-Dichloro-2-methylpyrimidine
Synonyms:
Pyrimidine,4,6-dichloro-2-methyl-;4,6-Dichloro-2-methylpyrimidine;2-Methyl-4,6-dichloropyrimidine;NSC 35923
Categories:
Pharmaceutical Intermediates > Antineoplastics

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Description

White to off-white solid

4,6-Dichloro-2-methylpyrimidine Basic Attributes

Molecular Weight：

163

Exact Mass：

163.00

EC Number：

1806241-263-5

NSC Number：

35923

DSSTox ID：

DTXSID80284149

HScode：

29335990

Characteristics

PSA：

25.8

XLogP3：

2.5

Appearance：

White to off-white Crystalline Powder or Crystals

Density：

1.404±0.06 g/cm3(Predicted)

Melting Point：

162-163 °C

Boiling Point：

210.8±20.0 °C(Predicted)

Flash Point：

208 °F

Refractive Index：

1.551

Vapor Pressure：

0.273mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3261 8/PG 2

wgk germany：

hazard class code：

34-51/53-43-22

safety instructions：

26-36/37/39-45-61-36/37

Marks：

C,N,Xn

Precautionary statement(s)：

P273-P280

Hazard Statements：

H302-H317-H411

GHS Classification：

|Danger|H302 (82.69%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P272, P273, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P333+P313, P363, P391, P405, and P501|Aggregated GHS information provided by 52 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4,6-Dichloro-2-methylpyrimidine Use and Manufacturing

Methods of Manufacturing

4, 6-dihydroxy-2-methylpyrimidine (5.0 g, 0.04 mol) was added to a mixed solution of thionyl chloride (18.9 g, 0.16 mol) and acetonitrile, The reaction was stirred at 80 ° C for 3 hours, and the plate was confirmed to disappear. The excess thiophenolate was distilled off under reduced pressure and the residue was poured into 50 g of ice water. The precipitated solid was filtered and purified by column chromatography to give 6.1 g (yield: 94percent) of solid.A mixture of 4, 6-dihydroxy-2-methylpyrimidine (15 g, 120 mmol) and phosphorus oxychloride (150 ml) were heated at reflux overnight. After allowing to cool the reaction mixture was concentrated TO-30 ml and then poured onto ice. The reaction mixture was extracted with ethyl acetate (3 x 75 ml). The organic extracts were combined, washed with base, brine, dried over magnesium sulfate, filtered and evaporated to give the title compound (13.4 g, 69percent).Step 1

Uses

Moxonidine intermediate

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:89
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4,6-Dichloro-2-methylpyrimidine

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Learn More Other Chemicals

4,6-Dichloro-2-methylpyrimidine

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