4,5-Dichloro-2-(methylsulfanyl)pyrimidine

Basic Information

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CAS Number

99469-85-9

Molecular Formula

C5H4Cl2N2S

Molecular Weight

195.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

283 ºC

Density

1.51

Flash Point

125 ºC

SMILES

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CSC1=NC=C(C(=N1)Cl)Cl

InChI

InChI=1S/C5H4Cl2N2S/c1-10-5-8-2-3(6)4(7)9-5/h2H,1H3

InChIKey

JATIYCWFOYRIEM-UHFFFAOYSA-N

LogP

2.505300000000001

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

114

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

4,5-dichloro-2-methylsulfanylpyrimidine
AM20120405
99469-85-9
4,5-DICHLORO-2-(METHYLTHIO)PYRIMIDINE
J-514079
4,5-Dichloro-2-(methylsul...
4,5-DICHLORO-2-(METHYLSULFANYL)PYRIMIDINE
AKOS015949332
ZDA46985
CS-0053795
SCHEMBL2714124
FT-0684779
A858361
JATIYCWFOYRIEM-UHFFFAOYSA-N
PB31816
SY102670
MFCD16987934
PYRIMIDINE, 4,5-DICHLORO-2-(METHYLTHIO)-
DTXSID90558262
DS-8951
2-methylsulphenyl-4,5-dichloro-pyrimidine
4,5-Dichloro-2-(methylsulfanyl)pyrimidine
4,5-Dichloro-2-(methylthio)pyrimidine
AK165294
4700AF
FCH1147636
AX8263915
4,5-dichloro-2-(methylsulfanyl)pyrimidine

MDL Number

MFCD16987934

FAQ

What are the physical and chemical properties of 4,5-Dichloro-2-(methylsulfanyl)pyrimidine (CAS: 99469-85-9)?

4,5-Dichloro-2-(methylsulfanyl)pyrimidine is a crystalline solid with a molecular weight of approximately 215.01 g/mol. It is slightly soluble in water but soluble in common organic solvents like ethanol and acetone. The compound exhibits high reactivity, particularly towards nucleophilic substitution reactions. It has a melting point around 145-147°C and is generally stable under normal conditions but should be handled with care due to its reactivity.

How is 4,5-Dichloro-2-(methylsulfanyl)pyrimidine (CAS: 99469-85-9) typically synthesized?

4,5-Dichloro-2-(methylsulfanyl)pyrimidine is typically synthesized through a nucleophilic substitution reaction involving chlorination of 2-(methylsulfanyl)pyrimidine. Commonly, this is achieved by reacting the amine with chlorine gas in the presence of a catalyst such as iron(III) chloride. The reaction is exothermic and requires careful monitoring to ensure a high yield and selectivity.

What industries use 4,5-Dichloro-2-(methylsulfanyl)pyrimidine (CAS: 99469-85-9)?

4,5-Dichloro-2-(methylsulfanyl)pyrimidine finds applications in various industries. It is primarily used in the pharmaceutical sector for the synthesis of drug intermediates. Additionally, it is utilized in the polymer industry for the preparation of advanced polymers and in the semiconductor industry for the fabrication of electronic materials. Its reactivity makes it suitable for use in sensor technologies as well.

What precautions should be taken when handling 4,5-Dichloro-2-(methylsulfanyl)pyrimidine (CAS: 99469-85-9)?

When handling 4,5-Dichloro-2-(methylsulfanyl)pyrimidine, it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to minimize the risk of inhalation. Spills should be cleaned up using appropriate absorbents, and the area should be thoroughly washed and ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.