1-[(2-Bromophenyl)sulfonyl]-4-methyl-1H-imidazole

Basic Information

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CAS Number

951884-07-4

Molecular Formula

C10H9BrN2O2S

Molecular Weight

301.16 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

Basic Physical Properties

SMILES

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CC1=CN(C=N1)S(=O)(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C10H9BrN2O2S/c1-8-6-13(7-12-8)16(14,15)10-5-3-2-4-9(10)11/h2-7H,1H3

InChIKey

CEUSAKOLFNCHJC-UHFFFAOYSA-N

LogP

2.19102

Topological Polar Surface Area

51.96 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

341

Synonyms & References

English

951884-07-4
DTXSID40650043
1-(2-Bromophenylsulfonyl)-4-methyl-1H-imidazole
1-(2-Bromobenzene-1-sulfonyl)-4-methyl-1H-imidazole
A859176
1-[(2-Bromophenyl)sulphonyl]-4-methyl-1H-imidazole
AKOS015835117
BS-22598
BNB88407
1-((2-Bromophenyl)sulfonyl)-4-methyl-1H-imidazole
CS-0205666
1-(2-bromobenzenesulfonyl)-4-methyl-1H-imidazole
1-(2-bromophenyl)sulfonyl-4-methylimidazole
MFCD09800970
1-(2-BROMOPHENYLSULFONYL)-4-METHYL-1H-IMIDAZOLE

MDL Number

MFCD09800970

Customs Code

2933290090

FAQ

What are the physical and chemical properties of 1-[(2-Bromophenyl)sulfonyl]-4-methyl-1H-imidazole (CAS: 951884-07-4)?

The compound 1-[(2-Bromophenyl)sulfonyl]-4-methyl-1H-imidazole (CAS: 951884-07-4) is a crystalline solid with a molecular weight of approximately 346.05 g/mol. It has a low solubility in water but is soluble in organic solvents like methanol and ethanol. The compound is known for its reactivity towards nucleophiles and can undergo substitution reactions. It is not flammable but may decompose at high temperatures, releasing bromine and sulfur dioxide. It is also susceptible to hydrolysis in basic media.

How is 1-[(2-Bromophenyl)sulfonyl]-4-methyl-1H-imidazole (CAS: 951884-07-4) typically synthesized?

1-[(2-Bromophenyl)sulfonyl]-4-methyl-1H-imidazole (CAS: 951884-07-4) can be synthesized via the coupling of 2-bromophenylsulfonyl isocyanate with 4-methylimidazole in the presence of a suitable catalyst such as 4-(dimethylamino)pyridine (DMAP). The reaction typically proceeds with high selectivity and good yield under mild conditions, making it a versatile synthetic route for this compound.

What industries use 1-[(2-Bromophenyl)sulfonyl]-4-methyl-1H-imidazole (CAS: 951884-07-4)?

1-[(2-Bromophenyl)sulfonyl]-4-methyl-1H-imidazole (CAS: 951884-07-4) is used in various industries, including pharmaceuticals for the modification of drug molecules, and polymers for enhancing their thermal stability and other physical properties. It also finds applications in sensor technology, particularly in gas sensing devices, and in the electronics industry for its role in semiconductor materials.

What precautions should be taken when handling 1-[(2-Bromophenyl)sulfonyl]-4-methyl-1H-imidazole (CAS: 951884-07-4)?

When handling 1-[(2-Bromophenyl)sulfonyl]-4-methyl-1H-imidazole (CAS: 951884-07-4), it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The compound should be stored in a cool, dry place, away from heat and direct sunlight. Fume hoods should be used during handling to minimize exposure to bromine and sulfur dioxide. In case of a spill, it should be cleaned up immediately with appropriate absorbent materials, and the area should be well-ventilated. Always refer to the safety data sheet (SDS) for detailed handling and disposal information.