3-Bromo-4-chloro-1H-indazole

Basic Information

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CAS Number

885521-40-4

Molecular Formula

C7H4BrClN2

Molecular Weight

231.48 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

233-234

SMILES

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C1=CC2=NNC(=C2C(=C1)Cl)Br

InChI

InChI=1S/C7H4BrClN2/c8-7-6-4(9)2-1-3-5(6)10-11-7/h1-3H,(H,10,11)

InChIKey

KQVVWXSIPZGIAN-UHFFFAOYSA-N

LogP

2.9788000000000006

Topological Polar Surface Area

28.68 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

155

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

3-Bromo-4-chloro-1H-indazole
1H-Indazole, 3-bromo-4-chloro-
3-Bromo-4-chloro(1H)indazole
3-bromo-4-chloro-2H-indazole
3-Bromo-4-chloro-1H-indazole (ACI)
3-Bromo-4-chloro-2H-indazole
CB-0860
DTXSID10640012
MB04871
1H-Indazole,3-bromo-4-chloro-
MFCD07781582
P17590
SCHEMBL21802617
J-511908
CHEMBL5307248
885521-40-4
AKOS005072059
3-BROMO-4-CHLORO(1H)INDAZOLE

MDL Number

MFCD07781582

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 3-Bromo-4-chloro-1H-indazole (CAS: 885521-40-4)?

3-Bromo-4-chloro-1H-indazole is a crystalline solid with a molecular weight of 220.02 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. The compound has moderate reactivity, particularly towards nucleophiles and reducing agents. It is prone to substitution reactions under certain conditions.

How is 3-Bromo-4-chloro-1H-indazole (CAS: 885521-40-4) typically synthesized?

3-Bromo-4-chloro-1H-indazole can be synthesized via the condensation of 4-chloro-1H-indazole with bromine in an appropriate solvent such as chloroform. The reaction is catalyzed by a base like sodium carbonate and proceeds with good selectivity and yield under mild conditions.

What industries use 3-Bromo-4-chloro-1H-indazole (CAS: 885521-40-4)?

3-Bromo-4-chloro-1H-indazole finds applications in pharmaceuticals, where it serves as an intermediate for the synthesis of various drugs. It also has uses in the production of certain dyes and pigments, and can be utilized in the development of sensors and other materials in the polymer industry.

What precautions should be taken when handling 3-Bromo-4-chloro-1H-indazole (CAS: 885521-40-4)?

When handling 3-Bromo-4-chloro-1H-indazole, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The compound should be stored in a fume hood and away from reducing agents and strong bases. In case of a spill, it is necessary to clean up using appropriate absorbent materials and follow the safety data sheet (SDS) guidelines for disposal.