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4,6-Dichloropyrimidine

4,6-Dichloropyrimidine structure

CAS No:
1193-21-1
Chemical Name:
4,6-Dichloropyrimidine
Synonyms:
Pyrimidine,4,6-dichloro-;4,6-Dichloropyrimidine;NSC 37530
Categories:
Inorganic Chemistry > Bromine Compounds

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Description

Yellow Solid

4,6-Dichloropyrimidine Basic Attributes

Molecular Weight：

148.98

Exact Mass：

148.98

BRN：

111195

EC Number：

214-770-2

NSC Number：

37530

DSSTox ID：

DTXSID10152403

HScode：

29335990

Characteristics

PSA：

25.8

XLogP3：

2.1

Appearance：

Yellow-green Crystals

Density：

1.6445 (rough estimate)

Melting Point：

67.5 °C

Boiling Point：

176 °C(lit.)

Flash Point：

176°C

Refractive Index：

1.6300 (estimate)

Water Solubility：

95% ethanol: soluble50mg/mL, clear to very slightly hazy, colorless to yellow

Storage Conditions：

-20°C

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 3263 8/PG 2

wgk germany：

hazard class code：

34-20/21/22-36/37

safety instructions：

26-36/37/39-45-27

Marks：

Hazard note：

Corrosive

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H314

GHS Classification：

|Danger|H302 (81.05%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P272, P273, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P333+P313, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 248 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4,6-Dichloropyrimidine Use and Manufacturing

Methods of Manufacturing

The preparation method is to use malondiformamide and formamide to reflux for 2h in the presence of sodium ethoxide, cool to obtain a precipitate, filter to obtain 4, 6-dihydroxypyrimidine, and then put the dried 4, 6-dihydroxypyrimidine in trichlorooxy Chlorinated with chlorine in the presence of phosphorus to obtain the product.

Uses

The starting material for the synthesis of disubstituted pyrimidines by tandem amination and Suzuki-Miyaura cross-coupling reaction; also used for the synthesis of diarylpyrimidines involving diaryl cross-coupling reactions

Computed Properties

Molecular Weight:148.98
XLogP3:2.1
Hydrogen Bond Acceptor Count:2
Exact Mass:147.9595035
Monoisotopic Mass:147.9595035
Topological Polar Surface Area:25.8
Heavy Atom Count:8
Complexity:70.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Acetonitrile

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Guide of 4,6-Dichloropyrimidine

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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4,6-Dichloropyrimidine

SDS

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