ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate

Basic Information

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CAS Number

95470-42-1

Molecular Formula

C7H9BrN2O2

Molecular Weight

233.07 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

Boiling Point

265.3°C at 760 mmHg

SMILES

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CCOC(=O)C1=C(NC(=N1)Br)C

InChI

InChI=1S/C7H9BrN2O2/c1-3-12-6(11)5-4(2)9-7(8)10-5/h3H2,1-2H3,(H,9,10)

InChIKey

LYNIJZZYBZLQCU-UHFFFAOYSA-N

LogP

1.65732

Topological Polar Surface Area

54.980000000000004 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

177

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

Ethyl 2-bromo-5-methyl-4H-imidazole-4-carboxylate
Ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate
1H-Imidazole-5-carboxylic acid, 2-bromo-4-methyl-, ethyl ester
2-BROMO-5-METHYL-4H-IMIDAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
Ethyl 2-bromo-5-methyl-1H-imidazole-4-carboxylate
2-Brom-5-methyl-1(3)H-imidazol-4-carbonsaeure-aethylester
2-bromo-4-methyl-1H-imidazole-5-carboxylic acid ethyl ester
2-bromo-5-methyl-1(3)H-imidazole-4-carboxylic acid ethyl ester
2-bromo-5-methyl-1H-imidazole-4-carboxylic acid,ethyl ester
ethyl 2-bromo-4-methyl-5-imidazolecarboxylate
QC-4447
RD-0244
2-BROMO-5-METHYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
AK139355
1H-Imidazole-4-carboxylic acid, 2-bromo-5-methyl-, ethyl ester
ethyl 2-bromo-5-methylimidazole-4-carboxylate
LYNIJZZYBZLQCU-UHFFFAOYSA-N
STL217698
BBL031661
SBB077166
FCH1327960
1H-Imidazole-4-carboxylic acid, 2-bromo-5-methyl-, ethyl ester (9CI)
AS-871/43475421
J-520719
CS-W022656
DS-6677
ALBB-022390
2-bromo-5-methyl-3H-imidazole-4-carboxylic acid ethyl ester
AKOS005207528
MFCD09965534
Ethyl 2-Bromo-4-methylimidazole-5-carboxylate

MDL Number

MFCD09033863

Customs Code

2933290090

FAQ

What regulatory guidelines apply to ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate (CAS: 95470-42-1)?

Ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate (CAS: 95470-42-1) should comply with GHS classification for its health and environmental hazards. It is also subject to REACH regulations for registration, evaluation, authorization, and restriction of chemicals. FDA and EPA may have additional requirements for the use and disposal of this compound in pharmaceutical and industrial applications.

Are there alternatives to ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate (CAS: 95470-42-1) in synthesis?

Alternatives to ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate (CAS: 95470-42-1) include other imidazole derivatives with similar functional groups, such as ethyl 2-chloro-4-methyl-1H-imidazole-5-carboxylate or ethyl 2-iodo-4-methyl-1H-imidazole-5-carboxylate. These can be used depending on the specific needs of the synthesis.

What is the market or research trend for ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate (CAS: 95470-42-1)?

Research trends for ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate (CAS: 95470-42-1) are focused on its potential applications in pharmaceuticals and agrochemicals due to its unique structural features. Market demand is increasing, driven by its use as an intermediate in the synthesis of various bioactive compounds.

How should waste containing ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate (CAS: 95470-42-1) be handled?

Waste containing ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate (CAS: 95470-42-1) should be collected and stored in appropriate containers, ensuring proper labeling. It should be disposed of through incineration or professional chemical waste disposal services to minimize environmental impact and comply with local regulations.