3-Methyl-5-nitro-1H-indazole

Basic Information

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CAS Number

40621-84-9

Molecular Formula

C8H7N3O2

Molecular Weight

177.16 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

Basic Physical Properties

Boiling Point

384.9℃ at 760 mmHg

Density

1.437

Flash Point

90°C

Refractive Index

1.707

SMILES

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CC1=C2C=C(C=CC2=NN1)[N+](=O)[O-]

InChI

InChI=1S/C8H7N3O2/c1-5-7-4-6(11(12)13)2-3-8(7)10-9-5/h2-4H,1H3,(H,9,10)

InChIKey

ZGDNJFXKELMVLS-UHFFFAOYSA-N

LogP

2.30270

Complexity

216

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

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

PB14474
3-methyl-5-nitro-2H-indazole
DTXSID70459384
SY042037
3-Hydroxymethyl-5-nitro-1H-indazole
J-512870
40621-84-9
FT-0657713
AMY29080
A6788
Z1198171687
SCHEMBL266008
CS-0019178
MFCD07082699
EN300-111542
AKOS006286037
3-methyl-5-nitro-1H-indazole
AC-25181
1H-INDAZOLE, 3-METHYL-5-NITRO-
DS-1331
ZGDNJFXKELMVLS-UHFFFAOYSA-N
3-Methyl-5-nitro-1H-indazole
1H-Indazole,3-methyl-5-nitro-
PubChem7824
3-methyl-5-nitroindazole
ST1100597
AB0024778
W6117
621M849
Z1438483408

MDL Number

MFCD07082699

FAQ

What regulatory guidelines apply to 3-Methyl-5-nitro-1H-indazole (CAS: 40621-84-9)?

3-Methyl-5-nitro-1H-indazole (CAS: 40621-84-9) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the EU, and FDA and EPA requirements in the USA. It must be properly labeled with appropriate hazard statements, precautionary statements, and pictograms to ensure safe handling and transport.

Are there alternatives to 3-Methyl-5-nitro-1H-indazole (CAS: 40621-84-9) in synthesis?

Alternatives to 3-Methyl-5-nitro-1H-indazole (CAS: 40621-84-9) in synthesis include similar aromatic compounds with varying substituents. For instance, 3-Nitro-1H-indazole or 5-Methyl-3-nitro-1H-indazole can be considered as suitable alternatives, depending on the specific reaction conditions and desired properties.

What is the market or research trend for 3-Methyl-5-nitro-1H-indazole (CAS: 40621-84-9)?

3-Methyl-5-nitro-1H-indazole (CAS: 40621-84-9) is increasingly used in pharmaceutical research, particularly in the development of anticancer drugs due to its antitumor and antibacterial properties. Market trends indicate growing interest in its synthesis and application in drug discovery and development.

How should waste containing 3-Methyl-5-nitro-1H-indazole (CAS: 40621-84-9) be handled?

Waste containing 3-Methyl-5-nitro-1H-indazole (CAS: 40621-84-9) should be collected in appropriate containers and disposed of through professional waste disposal services. It must be treated to neutralize any reactive groups, and the waste should be incinerated in an appropriately licensed facility to minimize environmental impact and ensure compliance with local environmental regulations.