Methyl 3-iodo-1H-indazole-4-carboxylate

Basic Information

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CAS Number

885521-54-0

Molecular Formula

C9H7IN2O2

Molecular Weight

302.07 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

421.4°C at 760 mmHg

Density

1.948

Flash Point

208.6°C

Refractive Index

1.72

SMILES

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COC(=O)C1=CC=CC2=NNC(=C21)I

InChI

InChI=1S/C9H7IN2O2/c1-14-9(13)5-3-2-4-6-7(5)8(10)12-11-6/h2-4H,1H3,(H,11,12)

InChIKey

ZJEHPJOGJCTNGU-UHFFFAOYSA-N

LogP

1.9540999999999995

Topological Polar Surface Area

54.980000000000004 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

237

Synonyms & References

English

Methyl 3-iodo-1H-indazole-4-carboxylate
1H-INDAZOLE-4-CARBOXYLIC ACID,3-IODO-,METHYL ESTER
methyl 3-iodo-2H-indazole-4-carboxylate
methyl 3-iodo-1H-indazole-4-carboxylate
Methyl 3-iodo-1H-indazole-4-carboxylate (ACI)
AKOS016009772
MFCD07781588
PS-7124
CS-0049086
885521-54-0
3-IODO-4-(1H)INDAZOLE CARBOXYLIC ACID METHYL ESTER
DA-19325
SY097488
methyl3-iodo-1H-indazole-4-carboxylate
DTXSID00646260
PB18825
SCHEMBL19208648
J-522182

MDL Number

MFCD07781588

FAQ

What is Methyl 3-iodo-1H-indazole-4-carboxylate (CAS: 885521-54-0)?

Methyl 3-iodo-1H-indazole-4-carboxylate (CAS: 885521-54-0) is an organic compound with a molecular formula of C12H10I2N2O3. It is characterized by its indazole ring structure with a methyl group and an iodine atom attached to the 3 and 4 positions, respectively, and a carboxylic acid group at the 4 position.

What are the main uses of Methyl 3-iodo-1H-indazole-4-carboxylate (CAS: 885521-54-0)?

Methyl 3-iodo-1H-indazole-4-carboxylate (CAS: 885521-54-0) is primarily used in pharmaceuticals for the development of new drugs, particularly in the synthesis of indazole derivatives. It also serves as a reagent in organic synthesis and chemical research due to its unique functional groups.

Is Methyl 3-iodo-1H-indazole-4-carboxylate (CAS: 885521-54-0) safe?

Methyl 3-iodo-1H-indazole-4-carboxylate (CAS: 885521-54-0) is generally safe when handled properly. However, it is important to follow safety precautions, such as wearing appropriate personal protective equipment (PPE), including gloves and goggles, and ensuring good ventilation. It is also important to store the compound in a cool, dry place away from sources of heat and light.

How should Methyl 3-iodo-1H-indazole-4-carboxylate (CAS: 885521-54-0) be stored?

Methyl 3-iodo-1H-indazole-4-carboxylate (CAS: 885521-54-0) should be stored in a sealed container at a temperature below 25°C and in a dry environment to prevent hydrolysis and degradation. It should be kept away from direct sunlight and heat sources. The container should be tightly sealed to prevent moisture and air exposure.