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4-Chloro-2-(methylthio)pyrimidine

4-Chloro-2-(methylthio)pyrimidine structure

CAS No:
49844-90-8
Formula:
C5H5ClN2S
Chemical Name:
4-Chloro-2-(methylthio)pyrimidine
Synonyms:
Pyrimidine,4-chloro-2-(methylthio)-;4-Chloro-2-(methylthio)pyrimidine;4-Chloro-2-(methylsulfanyl)pyrimidine;2-(Methylthio)-4-chloropyrimidine;4-Chloro-2-(methylmercapto)pyrimidine;NSC 100866;6-Chloro-2-methylthiopyrimidine
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Clear yellow to brown liquid

4-Chloro-2-(methylthio)pyrimidine Basic Attributes

Molecular Weight：

160.62

Exact Mass：

160.62

BRN：

118042

EC Number：

256-500-6

NSC Number：

100866

DSSTox ID：

DTXSID60198114

HScode：

2933599090

Characteristics

PSA：

51.1

XLogP3：

Appearance：

colorless liquid

Density：

1.4±0.1 g/cm3

Melting Point：

−2 °C(lit.)

Boiling Point：

122 °C @ Press: 18 Torr

Flash Point：

>230 °F

Refractive Index：

1.595

Water Solubility：

Not miscible or difficult to mix in water.

Storage Conditions：

Corrosives area.

Safety Information

Packing level：

Ⅱ

Hazard category：

Transport codes：

UN 1760 8/PG 2

wgk germany：

hazard class code：

safety instructions：

26-36/37/39-45

Marks：

Hazard note：

Corrosive/Hygroscopic

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H314

GHS Classification：

|Danger|H314 (97.87%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 47 companies from 6 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:160.63
XLogP3:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:159.9861970
Monoisotopic Mass:159.9861970
Topological Polar Surface Area:51.1
Heavy Atom Count:9
Complexity:91
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Phosphorus oxychloride

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4-Chloro-2-methylthiopyrimidine

CAS No.: 49844-90-8

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CAS No.: 49844-90-8

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Guide of 4-Chloro-2-(methylthio)pyrimidine

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Material
Recommended Suppliers
Latest News
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4-Chloro-2-(methylthio)pyrimidine

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