6-Iodo-1H-indazole

Basic Information

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CAS Number

261953-36-0

Molecular Formula

C7H5IN2

Molecular Weight

244.04 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

207.0 to 211.0 deg-C

Boiling Point

358.2°C at 760 mmHg

Density

2.082

Flash Point

170.4°C

Refractive Index

1.788

SMILES

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C1=CC2=C(C=C1I)NN=C2

InChI

InChI=1S/C7H5IN2/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,(H,9,10)

InChIKey

RSGAXJZKQDNFEP-UHFFFAOYSA-N

LogP

2.1674999999999995

Topological Polar Surface Area

28.68 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

129

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

PB29317
AM20040046
6-Iodo(1H)indazole
RSGAXJZKQDNFEP-UHFFFAOYSA-N
A5203
FT-0647772
6-iodo-1H-indazole
EN300-121716
1H-Indazole, 6-iodo-
6-Iodoindazole
DTXSID60514491
DS-2696
CS-D0910
261953-36-0
AC-23729
SCHEMBL1141578
J-518802
BCP00928
SY020603
I0933
6-Iodoindazole;1H-Indazole, 6-iodo-
NS00004760
AKOS015853878
EC 607-884-2
SCHEMBL17696315
MFCD04114695
6-Iodo-1H-indazole
6-IODO (1H)INDAZOLE
6-IODOINDAZOLE
6-Iodo-indazole
1H-Indazole,6-iodo

MDL Number

MFCD04114695

Customs Code

2933990090

FAQ

What is 6-Iodo-1H-indazole (CAS: 261953-36-0)?

6-Iodo-1H-indazole (CAS: 261953-36-0) is a heterocyclic aromatic organic compound with the molecular formula C8H7IN. It features an iodine atom at the 6th position of the indazole ring, which consists of a benzene ring fused to a pyrazole ring. The compound is characterized by its low solubility in water, moderate solubility in organic solvents, and a solid appearance at room temperature. It is commonly used as an intermediate in pharmaceutical and chemical synthesis.

What are the main uses of 6-Iodo-1H-indazole (CAS: 261953-36-0)?

6-Iodo-1H-indazole (CAS: 261953-36-0) is primarily utilized in pharmaceutical research as a building block for developing drugs targeting neurological and metabolic disorders. It also serves in industrial applications for synthesizing dyes and agrochemicals. Additionally, it is employed in chemical research for creating derivatives with specific functional groups. Its versatility makes it valuable in organic synthesis and material science.

Is 6-Iodo-1H-indazole (CAS: 261953-36-0) safe?

6-Iodo-1H-indazole (CAS: 261953-36-0) is considered a moderate hazard due to its potential to irritate skin and eyes. Safety data sheets indicate it should be handled with appropriate protective measures, such as gloves and goggles, and stored in a well-ventilated area. While it has a low toxicity profile under standard conditions, prolonged exposure may pose risks. Always follow OSHA and EPA guidelines for safe handling.

How should 6-Iodo-1H-indazole (CAS: 261953-36-0) be stored?

6-Iodo-1H-indazole (CAS: 261953-36-0) should be stored in a cool, dry place (ideally 2-8°C) away from light to maintain stability. It requires airtight, inert containers (such as glass or sealed polythylene) to prevent moisture and air exposure. Avoid contact with incompatible substances like strong oxidizers. Proper storage ensures optimal shelf life and minimizes degradation risks.