Methyl 6-bromo-1H-indazole-4-carboxylate

Basic Information

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CAS Number

885518-49-0

Molecular Formula

C9H7BrN2O2

Molecular Weight

255.07 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

Melting Point

203-207°C

SMILES

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COC(=O)C1=C2C=NNC2=CC(=C1)Br

InChI

InChI=1S/C9H7BrN2O2/c1-14-9(13)6-2-5(10)3-8-7(6)4-11-12-8/h2-4H,1H3,(H,11,12)

InChIKey

FEPRHRPOKPTRQZ-UHFFFAOYSA-N

LogP

2.112

Topological Polar Surface Area

54.980000000000004 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

237

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

Methyl 6-bromo-1H-indazole-4-carboxylate
1H-Indazole-4-carboxylic acid, 6-bromo-, methyl ester
6-Bromo-4-indazolecarboxylic acid methyl ester
6-BROMO-4-INDAZOLECARBOXYLIC ACID METHYL ESTER
6-bromo-1H-indazole-4-carboxylic acid methyl ester
Methyl 6-bromo-(1H)-indazole-4-carboxylate
1H-Indazole-4-carboxylicacid, 6-bromo-, methyl ester
AMOT0056
FEPRHRPOKPTRQZ-UHFFFAOYSA-N
BCP21743
RW3729
EBD489300
TRA0044955
methyl 6-bromo-1H-indazole-4-carboxylate
6-Bromoindazole-4-carboxylic acid methyl ester
DTXSID30646137
Z1269147968
CS-B0755
SS-6013
AKOS015898491
6-Bromo-4-indazolecarboxylic acid methyl ester
PB25004
J-522532
EN300-255591
885518-49-0
SCHEMBL459193
Methyl6-bromo-1H-indazole-4-carboxylate
Methyl 6-bromo-1H-indazole-4-carboxylate, AldrichCPR
SY015981
MFCD07781319

MDL Number

MFCD07781319

Customs Code

2933990090

FAQ

What regulatory guidelines apply to Methyl 6-bromo-1H-indazole-4-carboxylate (CAS: 885518-49-0)?

Methyl 6-bromo-1H-indazole-4-carboxylate (CAS: 885518-49-0) falls under various regulatory guidelines such as the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations, and FDA/EPA requirements. It is classified as a hazardous substance due to its bromine content and may require specific handling, storage, and disposal procedures to meet environmental and occupational safety standards.

Are there alternatives to Methyl 6-bromo-1H-indazole-4-carboxylate in synthesis (CAS: 885518-49-0)?

Alternatives to Methyl 6-bromo-1H-indazole-4-carboxylate in synthesis might include other brominated indazoles or related heterocycles. Common substitutes could involve using 6-chloro-1H-indazole-4-carboxylic acid or 6-fluoro-1H-indazole-4-carboxylic acid, depending on the specific synthetic pathway and desired properties of the final product.

What is the market or research trend for Methyl 6-bromo-1H-indazole-4-carboxylate (CAS: 885518-49-0)?

The market for Methyl 6-bromo-1H-indazole-4-carboxylate (CAS: 885518-49-0) is primarily driven by its use in drug discovery and synthesis for medicinal chemistry. Research trends indicate a growing interest in indazoles for their potential in developing anti-inflammatory, anti-tumor, and other therapeutic agents. Market dynamics show increasing demand, particularly from pharmaceutical companies looking to explore novel chemical entities.

How should waste containing Methyl 6-bromo-1H-indazole-4-carboxylate (CAS: 885518-49-0) be handled?

Waste containing Methyl 6-bromo-1H-indazole-4-carboxylate (CAS: 885518-49-0) should be collected in appropriate containers and stored in a secure location. Proper incineration or professional waste disposal services should be utilized to ensure safe disposal. Environmental precautions include ensuring no release into the environment, and all handling should comply with local and international regulations to prevent contamination and protect public health and the environment.