4-Chloro-1,2-dihydro-3H-indazol-3-one

Basic Information

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CAS Number

787580-87-4

Molecular Formula

C7H5ClN2O

Molecular Weight

168.58 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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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C1=CC2=C(C(=C1)Cl)C(=O)NN2

InChI

InChI=1S/C7H5ClN2O/c8-4-2-1-3-5-6(4)7(11)10-9-5/h1-3H,(H2,9,10,11)

InChIKey

KLRONPGJZULTOP-UHFFFAOYSA-N

LogP

1.5095999999999996

Topological Polar Surface Area

48.65 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

185

Synonyms & References

English

4-Chloro-1H-indazol-3(2H)-one
4-Chloro-3-hydroxy 1H-indazole
4-chloro-1,2-dihydroindazol-3-one
Z1098880205
4-Chloro-3-hydroxy-1H-indazole
4-Chloro-1,2-dihydro-3H-indazol-3-one, AldrichCPR
DTXSID50646619
AKOS005744896
J-514876
787580-87-4
CHEMBL4229198
4-chloro-1,2-dihydro-3H-indazol-3-one
A864973
SCHEMBL5821978
4-chloro-1H-indazol-3-ol
EN300-69187
4-chloro-2,3-dihydro-1H-indazol-3-one
FT-0755408
AKOS006281162
SCHEMBL3914654
3H-Indazol-3-one,4-chloro-1,2-dihydro-

MDL Number

MFCD09839766

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 4-Chloro-1,2-dihydro-3H-indazol-3-one (CAS: 787580-87-4)?

4-Chloro-1,2-dihydro-3H-indazol-3-one is a crystalline solid with a molecular weight of approximately 218.6 g/mol. It is slightly soluble in water and has good solubility in organic solvents like methanol and ethanol. Chemically, it is relatively stable but can undergo substitution reactions with nucleophiles. It reacts with bases to form salts and can also undergo reduction and oxidation reactions.

How is 4-Chloro-1,2-dihydro-3H-indazol-3-one (CAS: 787580-87-4) typically synthesized?

4-Chloro-1,2-dihydro-3H-indazol-3-one can be synthesized via a multi-step process involving the condensation of 2-aminoindazol-3-one with thiochloroacetic acid, followed by acid hydrolysis. The reaction involves the use of a Lewis acid as a catalyst to promote the condensation step. The overall yield is moderate, and the method provides good selectivity for the desired product.

What industries use 4-Chloro-1,2-dihydro-3H-indazol-3-one (CAS: 787580-87-4)?

4-Chloro-1,2-dihydro-3H-indazol-3-one is primarily used in the pharmaceutical industry as an intermediate in the synthesis of certain drugs. It also finds applications in the chemical sensors industry due to its reactivity and stability. Additionally, it can be used in the preparation of certain materials in the semiconductor and polymer industries.

What precautions should be taken when handling 4-Chloro-1,2-dihydro-3H-indazol-3-one (CAS: 787580-87-4)?

When handling 4-Chloro-1,2-dihydro-3H-indazol-3-one, it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a laboratory coat. Ensure the work is conducted in a fume hood to minimize inhalation exposure. Proper storage should be in a cool, dry place, away from direct sunlight and heat sources. In case of a spill, use appropriate absorbent materials and follow the safety data sheet (SDS) for disposal instructions.