3-Bromo-5-fluoro-1H-indazole

Basic Information

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CAS Number

885519-08-4

Molecular Formula

C7H4BrFN2

Molecular Weight

215.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

337.2°C at 760 mmHg

SMILES

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C1=CC2=NNC(=C2C=C1F)Br

InChI

InChI=1S/C7H4BrFN2/c8-7-5-3-4(9)1-2-6(5)10-11-7/h1-3H,(H,10,11)

InChIKey

YIZLRCNXHKTBBK-UHFFFAOYSA-N

LogP

2.4645

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

Synonyms & References

English

3-bromo-5-fluoro-2H-indazole
DTXSID70646292
PS-6710
3-Bromo-5-fluoro(1H)indazole
3-BROMO-5-FLUORO (1H)INDAZOLE
A842689
FT-0711784
SCHEMBL11904166
J-512011
3-Bromo-5-fluoro-1H-indazole
AKOS016003438
885519-08-4
MB04965
AM20041317
MFCD07781639
SY065365
3-bromo-5-fluoro-2H-indazole;3-Bromo-5-fluoro-1H-indazole
1H-INDAZOLE,3-BROMO-5-FLUORO-
3-Bromo-5-fluoro (1H)indazole
1H-Indazole,3-bromo-5-fluoro
3-bromanyl-5-fluoranyl-2H-indazole
3-BROMO-5-FLUORO-INDAZOLE
SBB095048
AB0038271
Y5630
3-bromo-5-fluoro-1H-indazole
3-Bromo-5-fluoro-1H-indazole (ACI)
3-Bromo-5-fluoro-2H-indazole

MDL Number

MFCD07781639

FAQ

What regulatory guidelines apply to 3-Bromo-5-fluoro-1H-indazole (CAS: 885519-08-4)?

3-Bromo-5-fluoro-1H-indazole (CAS: 885519-08-4) falls under the regulatory framework of GHS for hazard classification and labeling. It is also subject to REACH regulations in the European Union, requiring registration and safety data sheets. For the FDA and EPA, it may be regulated under specific chemicals laws, particularly for industrial and consumer products. Compliance with these guidelines ensures safe handling, storage, and disposal.

Are there alternatives to 3-Bromo-5-fluoro-1H-indazole (CAS: 885519-08-4) in synthesis?

Alternatives to 3-Bromo-5-fluoro-1H-indazole include structurally similar compounds such as 3-bromo-1H-indazole and 5-fluoro-1H-indazole. Other reagents like bromine derivatives and fluoro-reagents can be used as substitutes depending on the specific synthesis requirements. These alternatives offer similar reactivity and can be employed to achieve similar molecular structures with varying degrees of substitution.

What is the market or research trend for 3-Bromo-5-fluoro-1H-indazole (CAS: 885519-08-4)?

The market trend for 3-Bromo-5-fluoro-1H-indazole reflects its increasing use in pharmaceuticals and agrochemicals due to its unique structural properties. Research trends indicate a growing interest in its application in medicinal chemistry, particularly in the development of new drugs for treating various diseases. Additionally, the compound is being explored for its potential in catalysis and material science applications.

How should waste containing 3-Bromo-5-fluoro-1H-indazole (CAS: 885519-08-4) be handled?

Waste containing 3-Bromo-5-fluoro-1H-indazole (CAS: 885519-08-4) should be managed according to hazardous waste regulations. Collect waste in appropriate containers, ensuring minimal leakage. For disposal, incineration is a common method, but professional waste disposal services are recommended to ensure compliance with environmental protection standards. Always follow local and national regulations for safe disposal to prevent environmental contamination.