Methyl 3-bromo-2H-indazole-6-carboxylate

Basic Information

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CAS Number

192945-56-5

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

SMILES

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COC(=O)c1ccc2c(c1)[nH]nc2Br

InChI

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

InChIKey

NXMJEXMODINMIJ-UHFFFAOYSA-N

LogP

2.112

Topological Polar Surface Area

54.980000000000004 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

237

Synonyms & References

English

Methyl 3-bromo-1H-indazole-6-carboxylate
1H-INDAZOLE-6-CARBOXYLIC ACID,3-BROMO-,METHYL ESTER
3-Bromo-1H-indazole-6-caboxylic acid methyl ester
3-Bromo-1H-indazole-6-caboxylic acid methylester
METHYL 3-BROMOINDAZOLE-6-CARBOXYLATE
Methyl 3-bromoindazole-6-...
3-Bromo-6-(methoxycarbonyl)-1H-indazole
methyl 3-bromo-2H-indazole-6-carboxylate
3-BROMO 1H-INDAZOLE-6-CARBOXYLIC ACID METHYL ESTER
3-bromo-2H-indazole-6-carboxylic acid methyl ester
NXMJEXMODINMIJ-UHFFFAOYSA-N
1H-INDAZOLE-6-CARBOXYLIC ACID, 3-BROMO-, METHYL ESTER
RP09511
PB20577
ST1100731
AB0037987
AB1011683
Y5328
methyl 3
methyl 3-bromo-1H-indazole-6-carboxylate

MDL Number

MFCD11499017

Customs Code

2933990090

FAQ

What are the physical and chemical properties of Methyl 3-bromo-2H-indazole-6-carboxylate (CAS: 192945-56-5)?

Methyl 3-bromo-2H-indazole-6-carboxylate (CAS: 192945-56-5) is a crystalline solid with a molecular weight of approximately 270.03 g/mol. It is slightly soluble in water and has good solubility in common organic solvents like dichloromethane and acetonitrile. Chemically, it is a reactive compound, which can undergo substitution reactions at the bromine atom. It is also prone to hydrolysis in the presence of moisture.

How is Methyl 3-bromo-2H-indazole-6-carboxylate (CAS: 192945-56-5) typically synthesized?

Methyl 3-bromo-2H-indazole-6-carboxylate (CAS: 192945-56-5) is commonly synthesized via the bromination of methyl 2H-indazole-6-carboxylate using N-bromosuccinimide (NBS) in the presence of a radical initiator like benzoyl peroxide. The reaction proceeds with high selectivity and good yield, typically around 75-85%.

What industries use Methyl 3-bromo-2H-indazole-6-carboxylate (CAS: 192945-56-5)?

Methyl 3-bromo-2H-indazole-6-carboxylate (CAS: 192945-56-5) is used in the pharmaceutical industry for the synthesis of various indazole-based drugs due to its potential biological activity. It also finds applications in the polymer industry for the development of new materials and in the semiconductor industry for use in organic electronics.

What precautions should be taken when handling Methyl 3-bromo-2H-indazole-6-carboxylate (CAS: 192945-56-5)?

When handling Methyl 3-bromo-2H-indazole-6-carboxylate (CAS: 192945-56-5), it is crucial to work in a well-ventilated environment and use a fume hood. Wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Spills should be cleaned up promptly with appropriate absorbent materials, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.