5-Bromo-3-methyl-1H-indazole

Basic Information

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CAS Number

552331-16-5

Molecular Formula

C8H7BrN2

Molecular Weight

211.06 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

Physical State

No data avaiable

Melting Point

No data available

Boiling Point

341.4°C at 760 mmHg

Density

1.7±0.1 g/cm3

Flash Point

160.284℃

Refractive Index

1.697

Vapor Pressure

0.0±0.7 mmHg at 25°C

SMILES

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CC1=C2C=C(C=CC2=NN1)Br

InChI

InChI=1S/C8H7BrN2/c1-5-7-4-6(9)2-3-8(7)11-10-5/h2-4H,1H3,(H,10,11)

InChIKey

XDJNHYAQZWCIAH-UHFFFAOYSA-N

LogP

2.63382

Topological Polar Surface Area

28.68 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

151

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

552331-16-5
MFCD05664003
5-Bromo-3-Methylindazole
FT-0650445
CS-B0742
5-bromo-3-methyl-1H-indazole
3-methyl-5-bromo-1h-indazole
PB27696
5-bromo-3-methyl-2H-indazole
XDJNHYAQZWCIAH-UHFFFAOYSA-N
AM20040705
AKOS015834534
DTXSID60626442
A7997
5-bromo-3-methyl-indazole
STR07122
SCHEMBL182633
SY014182
A846556
5-bromanyl-3-methyl-2H-indazole
EN300-244755
FS-2762
J-517030
Z1269128137
A830547
BCP26267
1H-INDAZOLE, 5-BROMO-3-METHYL-
5-Bromo-3-methyl-1H-indazole
5-BroMo-3-Methylindazole
PubChem7815
KSC495S0F

MDL Number

MFCD05664003

Customs Code

2933990090

FAQ

What is 5-Bromo-3-methyl-1H-indazole (CAS: 552331-16-5)?

5-Bromo-3-methyl-1H-indazole (CAS: 552331-16-5) is a heterocyclic aromatic compound with a bromo substituent and a methyl group attached to the indazole ring. It is characterized by its unique chemical structure, which includes a nitrogen-containing five-membered ring with a nitrogen and a six-membered ring containing a bromine atom and a methyl group.

What are the main uses of 5-Bromo-3-methyl-1H-indazole (CAS: 552331-16-5)?

5-Bromo-3-methyl-1H-indazole (CAS: 552331-16-5) is primarily used in pharmaceutical research, particularly as a precursor for the synthesis of other indazole derivatives with potential pharmacological activities. It is also used in organic synthesis and as a reagent in chemical research.

Is 5-Bromo-3-methyl-1H-indazole (CAS: 552331-16-5) safe?

5-Bromo-3-methyl-1H-indazole (CAS: 552331-16-5) is generally safe when handled with appropriate precautions. It is not highly toxic, but it should be used in a well-ventilated area and protective gloves and eye protection should be worn. Avoid contact with skin and eyes, and store in a sealed container to prevent degradation.

How should 5-Bromo-3-methyl-1H-indazole (CAS: 552331-16-5) be stored?

5-Bromo-3-methyl-1H-indazole (CAS: 552331-16-5) should be stored in a cool, dry place away from direct sunlight. It should be kept in a tightly sealed container to prevent exposure to moisture and air. The container should be stored at room temperature (15-25°C) and protected from high humidity and light to maintain its stability.