4-Chloro-2-(methylsulfonyl)pyrimidine

Basic Information

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CAS Number

97229-11-3

Molecular Formula

C5H5ClN2O2S

Molecular Weight

192.63 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

87-89 ºC

Boiling Point

371.1°C at 760 mmHg

Density

1.486

SMILES

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CS(=O)(=O)C1=NC=CC(=N1)Cl

InChI

InChI=1S/C5H5ClN2O2S/c1-11(9,10)5-7-3-2-4(6)8-5/h2-3H,1H3

InChIKey

BWVZLXTZQHILRC-UHFFFAOYSA-N

LogP

0.5335000000000001

Topological Polar Surface Area

59.92 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

223

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-Chloro-2-(methylsulfonyl)pyrimidine
4-CHLORO-2-METHANESULFONYL-PYRIMIDINE
4-chloro-2-methylsulfonylpyrimidine
C5H5ClN2O2S
4-CHLORO-2-METHANESULFONYLPYRIMIDINE
PYRIMIDINE, 4-CHLORO-2-(METHYLSULFONYL)-
4-chloro-2-methylsulfonyl-pyrimidine
BWVZLXTZQHILRC-UHFFFAOYSA-N
FCH869011
4-chloro-2-methanesulphonylpyrimidine
2-(Methylsulfonyl)-4-chloropyrimidine
MB07468
SY017916
HC2105
4-Chloro-2-(methylsulfonyl)pyrimidine (ACI)
4-chloro-2-methanesulfonylpyrimidine
97229-11-3
DB-010250
SCHEMBL758549
MFCD09701372
EN300-199073
DTXSID70456893
CS-W004037
AKOS005264720
4-Chloro-2-methanesulfonyl-pyrimidine
4-Chloro-2-methylsulfonylpyrimidine
Z1198221088
J-514903
DS-13870

MDL Number

MFCD09701372

Customs Code

2933599090

FAQ

What is 4-Chloro-2-(methylsulfonyl)pyrimidine (CAS: 97229-11-3)?

4-Chloro-2-(methylsulfonyl)pyrimidine (CAS: 97229-11-3) is a chemical compound with the molecular formula C5H5ClN2OS. It is a pyrimidine derivative with a chloro substituent at position 4 and a methylsulfonyl group at position 2. This compound is known for its potential use in pharmaceuticals and research.

What are the main uses of 4-Chloro-2-(methylsulfonyl)pyrimidine (CAS: 97229-11-3)?

4-Chloro-2-(methylsulfonyl)pyrimidine (CAS: 97229-11-3) is primarily used in the pharmaceutical industry as a precursor in the synthesis of certain drugs. It is also used in research for developing new chemical entities and in biological assays.

Is 4-Chloro-2-(methylsulfonyl)pyrimidine (CAS: 97229-11-3) safe?

4-Chloro-2-(methylsulfonyl)pyrimidine (CAS: 97229-11-3) is generally considered safe when handled properly. However, it is a hazardous chemical that is toxic if ingested or inhaled. Proper protective equipment, including gloves and safety goggles, should be worn during handling. It should be stored in a well-ventilated area away from heat and ignition sources.

How should 4-Chloro-2-(methylsulfonyl)pyrimidine (CAS: 97229-11-3) be stored?

4-Chloro-2-(methylsulfonyl)pyrimidine (CAS: 97229-11-3) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption and degradation. The storage temperature should not exceed 25°C, and the relative humidity should be below 50%. Adequate ventilation should be ensured to avoid the accumulation of flammable gases.