4,6-Dichloro-2-(methylsulfanyl)-5-pyrimidinecarbonitrile

Basic Information

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CAS Number

33097-13-1

Molecular Formula

C6H3Cl2N3S

Molecular Weight

220.08 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

106-110 °C

Boiling Point

367.3℃ at 760 mmHg

Density

1.58

Flash Point

175.9℃

Refractive Index

1.629

SMILES

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

InChI

InChI=1S/C6H3Cl2N3S/c1-12-6-10-4(7)3(2-9)5(8)11-6/h1H3

InChIKey

GLOOTGZVAHKTJS-UHFFFAOYSA-N

LogP

2.37698

Complexity

192

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Synonyms & References

English

SCHEMBL2132489
5-Pyrimidinecarbonitrile, 4,6-dichloro-2-(methylthio)-
4,6-Dichloro-2-(methylthio)pyrimidine-5-carbonitrile, 97%
4,6-Dichloro-2-(methylthio)-pyrimidine-5-carbonitrile
A852020
4,6-dichloro-2-methylsulfanyl-pyrimidine-5-carbonitrile
4,6-Dichloro-2-(methylthio)pyrimidine-5-carbonitrile
MB01264
4,6-dichloro-2-(methylthio)pyrimidine-5-carbonitrile;5-Cyano-4,6-dichloro-2-(methylthio)pyrimidine
MFCD00474490
5-Cyano-4,6-dichloro-2-(methylthio)pyrimidine
FT-0649935
4,6-dichloro-2-(methylsulfanyl)pyrimidine-5-carbonitrile
GLOOTGZVAHKTJS-UHFFFAOYSA-N
4,6-DICHLORO-2-(METHYLTHIO)-5-PYRIMIDINECARBONITRILE
33097-13-1
GS-6555
CS-W020507
AKOS007930905
4,6-dichloro-2-methylthiopyrimidine-5-carbonitrile
SY004232
4,6-Dichloro-5-Cyano-2-(Methylthio)pyrimidine
BCP11289
J-019023
4,6-dichloro-2-methylsulfanylpyrimidine-5-carbonitrile
DTXSID80400786
AM803707
4,6-dichloro-2-(methylthio)-5-Pyrimidinecarbonitrile
4,6-Dichloro-2-methylsulfanyl-pyrimidine-5-carbonitrile
5-Pyrimidinecarbonitrile,4,6-dichloro-2-(methylthio)-

MDL Number

MFCD00474490

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 4,6-Dichloro-2-(methylsulfanyl)-5-pyrimidinecarbonitrile (CAS: 33097-13-1)?

4,6-Dichloro-2-(methylsulfanyl)-5-pyrimidinecarbonitrile has a crystalline form. Its molecular weight is approximately 222.02 g/mol. This compound is slightly soluble in water but more soluble in organic solvents like methanol and ethanol. It shows moderate reactivity towards nucleophiles and electrophiles. It is a solid at room temperature with a melting point of around 210-212°C.

How is 4,6-Dichloro-2-(methylsulfanyl)-5-pyrimidinecarbonitrile (CAS: 33097-13-1) typically synthesized?

4,6-Dichloro-2-(methylsulfanyl)-5-pyrimidinecarbonitrile is commonly synthesized via a multi-step process involving the reaction of 5-chloropyrimidine with methyl thiocyanate followed by a chlorination step. The synthesis typically yields a high purity product with good selectivity and yield. This process often involves the use of Lewis acids as catalysts.

What industries use 4,6-Dichloro-2-(methylsulfanyl)-5-pyrimidinecarbonitrile (CAS: 33097-13-1)?

4,6-Dichloro-2-(methylsulfanyl)-5-pyrimidinecarbonitrile is primarily used in the pharmaceutical industry for the synthesis of certain intermediates and active pharmaceutical ingredients. It also finds application in the polymer industry as a stabilizer. Additionally, it is used in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 4,6-Dichloro-2-(methylsulfanyl)-5-pyrimidinecarbonitrile (CAS: 33097-13-1)?

When handling 4,6-Dichloro-2-(methylsulfanyl)-5-pyrimidinecarbonitrile, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Work should be conducted in a fume hood to avoid inhalation of vapors. Spills should be cleaned up with caution, using appropriate absorbents. Refer to the Safety Data Sheet (SDS) for detailed emergency procedures and storage conditions. This compound is corrosive and may irritate skin and eyes, so proper precautions are necessary.