2-Bromo-1-methyl-1H-imidazole

Basic Information

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CAS Number

16681-59-7

Molecular Formula

C4H5BrN2

Molecular Weight

161 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

Physical State

Liquid

Boiling Point

172 °C

Refractive Index

n20/D 1.5440(lit.)

Vapor Pressure

0.1±0.5 mmHg at 25°C

SMILES

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CN1C=CN=C1Br

InChI

InChI=1S/C4H5BrN2/c1-7-3-2-6-4(7)5/h2-3H,1H3

InChIKey

BANOTGHIHYMTDL-UHFFFAOYSA-N

LogP

1.1825999999999999

Topological Polar Surface Area

17.82 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

66.7

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

Synonyms & References

English

2-Bromo-1-methyl-1H-imidazole
BANOTGHIHYMTDL-UHFFFAOYSA-N
1H-Imidazole, 2-bromo-1-methyl-
Z959380970
FT-0637398
N-methyl-2-bromoimidazole
16681-59-7
MFCD02179525
PS-3310
Q-103098
2-BROMO-N-METHYLIMIDAZOLE
EN300-61159
AB11315
AC-28872
AKOS005258957
CS-W002911
DTXSID00378317
2-bromo-1-methylimidazole
AM803300
A810773
SCHEMBL213630
CHEMBL305538
SY013969
1-METHYL-2-BROMOIMIDAZOLE
2-Bromo-1-methyl-1H-imidazole, 95%
W-204360
2-bromanyl-1-methyl-imidazole
2-Bromo-1-methylimidazole
Imidazole,2-bromo-1-methyl- (8CI)
2-Bromo-N-methylimidazole
1-Methyl-2-bromo-1H-imidazole

MDL Number

MFCD02179525

Customs Code

2933290090

FAQ

What are the physical and chemical properties of 2-Bromo-1-methyl-1H-imidazole (CAS: 16681-59-7)?

2-Bromo-1-methyl-1H-imidazole is a crystalline solid with a molecular weight of approximately 184.03 g/mol. It is slightly soluble in water and more soluble in organic solvents such as ethanol and acetone. Chemically, it is relatively stable but can react with strong nucleophiles. It has a pKa of around 7.5 in aqueous solution.

How is 2-Bromo-1-methyl-1H-imidazole (CAS: 16681-59-7) typically synthesized?

2-Bromo-1-methyl-1H-imidazole can be synthesized by bromination of 1-methylimidazole in the presence of a Lewis acid catalyst, such as aluminum bromide. The reaction is typically carried out in an inert solvent like dichloromethane at room temperature. This method provides good selectivity and yield.

What industries use 2-Bromo-1-methyl-1H-imidazole (CAS: 16681-59-7)?

2-Bromo-1-methyl-1H-imidazole is used in the pharmaceutical industry for the synthesis of various drugs, and in the chemical industry for the preparation of heterocyclic compounds. It is also utilized in the development of sensors and as a precursor in semiconductor manufacturing processes.

What precautions should be taken when handling 2-Bromo-1-methyl-1H-imidazole (CAS: 16681-59-7)?

When handling 2-Bromo-1-methyl-1H-imidazole, appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. It should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbent materials, and the area should be thoroughly decontaminated. Always refer to the Safety Data Sheet (SDS) for specific handling instructions and emergency procedures.