Methyl 4-bromo-1-methyl-1H-imidazole-2-carboxylate

Basic Information

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CAS Number

864076-05-1

Molecular Formula

C6H7BrN2O2

Molecular Weight

219.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

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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COC(=O)c1nc(Br)cn1C

InChI

InChI=1S/C6H7BrN2O2/c1-9-3-4(7)8-5(9)6(10)11-2/h3H,1-2H3

InChIKey

ROEZBNMDDJUDSC-UHFFFAOYSA-N

LogP

0.9692

Topological Polar Surface Area

44.12 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

165

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

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

4-bromo-1-methyl-1H-Imidazole-2-carboxylic acid methyl ester
Methyl 4-bromo-1-methyl-1H-imidazole-2-carboxylate
methyl 4-bromo-1-methylimidazole-2-carboxylate
AK121847
PubChem23741
ROEZBNMDDJUDSC-UHFFFAOYSA-N
3528AC
AB69178
FCH1381324
BC004965
AX8221835
ST24047897

MDL Number

MFCD13189816

FAQ

What is Methyl 4-bromo-1-methyl-1H-imidazole-2-carboxylate (CAS: 864076-05-1)?

Methyl 4-bromo-1-methyl-1H-imidazole-2-carboxylate (CAS: 864076-05-1) is an organic compound with the molecular formula C8H9BrN3O2. It is characterized by its bromine-containing structure and imidazole ring, making it useful in various chemical and pharmaceutical applications.

What are the main uses of Methyl 4-bromo-1-methyl-1H-imidazole-2-carboxylate (CAS: 864076-05-1)?

Methyl 4-bromo-1-methyl-1H-imidazole-2-carboxylate (CAS: 864076-05-1) is primarily used in pharmaceutical and research applications, serving as a precursor for the synthesis of other compounds. It is also utilized in the development of new drugs and as an intermediate in chemical reactions.

Is Methyl 4-bromo-1-methyl-1H-imidazole-2-carboxylate (CAS: 864076-05-1) safe?

Methyl 4-bromo-1-methyl-1H-imidazole-2-carboxylate (CAS: 864076-05-1) can be considered safe when handled with appropriate precautions. It is important to follow safety guidelines, such as using gloves and protective eyewear, and to avoid inhaling fumes. Store in a cool, dry place away from sources of heat and light.

How should Methyl 4-bromo-1-methyl-1H-imidazole-2-carboxylate (CAS: 864076-05-1) be stored?

Methyl 4-bromo-1-methyl-1H-imidazole-2-carboxylate (CAS: 864076-05-1) should be stored in a cool, dry place, protected from light and heat. Ensure the storage area is well-ventilated and the container is tightly sealed. Use a suitable, airtight container to prevent moisture and air exposure, which could degrade the compound.