3-(Bromomethyl)-2,5,6-trimethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione

Basic Information

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CAS Number

71418-44-5

Molecular Formula

C10H11BrN2O2

Molecular Weight

271.11 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

No data available

Melting Point

159.0 to 163.0 deg-C

Boiling Point

327.8° C

Density

1.7000

Flash Point

152.1±28.4 °C

Solubility

DMF: soluble

Refractive Index

1.64

SMILES

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CC1=C(N2C(=C(C(=O)N2C1=O)C)CBr)C

InChI

InChI=1S/C10H11BrN2O2/c1-5-7(3)12-8(4-11)6(2)10(15)13(12)9(5)14/h4H2,1-3H3

InChIKey

AHEWZZJEDQVLOP-UHFFFAOYSA-N

LogP

1.01716

Topological Polar Surface Area

42.96 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

437

Safety Information

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Stability

Light Sensitive

Synonyms & References

English

71418-44-5
UNII-V23UK0CYXL
Q4973726
9,methyl)(methyl,methyl)bimane
CHEMBL1649730
CHEBI:62825
3-(Bromomethyl)-2,5,6-trimethylpyrazolo[1,2-a]pyrazole-1,7-dione
7-(bromomethyl)-1,2,6-trimethylpyrazolo[1,2-a]pyrazole-3,5-dione
Epitope ID:153547
3-(Bromomethyl)-2,5,6-trimethyl-1H,7H-pyrazolo(1,2-a)pyrazole-1,7-dione
AS-56313
B4220
FT-0628974
1H,7H-Pyrazolo(1,2-a)pyrazole-1,7-dione, 3-(bromomethyl)-2,5,6-trimethyl-
1H,7H-Pyrazolo[1,2-a]pyrazole-1,7-dione,3-(bromomethyl)-2,5,6-trimethyl-
Bromobimane
AKOS030242700
CS-7526
MBBR
MFCD00036951
Thiolyte MB
V23UK0CYXL
monobromo-bimane
NSC-608544
Monobromobimane
AHEWZZJEDQVLOP-UHFFFAOYSA-N
D89056
NSC608544
NS00120077
Bromobimane, BioReagent, suitable for fluorescence, >=95% (HPCE)
DTXSID70221609

MDL Number

MFCD00036951

FAQ

What regulatory guidelines apply to 3-(Bromomethyl)-2,5,6-trimethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione (CAS: 71418-44-5)?

The compound 3-(Bromomethyl)-2,5,6-trimethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione (CAS: 71418-44-5) must adhere to the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), as well as REACH regulations in the European Union. In the United States, FDA and EPA regulations also apply, particularly in the context of its use in pharmaceutical and industrial applications. Ensure compliance with local regulations for storage, handling, and disposal.

Are there alternatives to 3-(Bromomethyl)-2,5,6-trimethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione (CAS: 71418-44-5) in synthesis?

Several alternatives can be considered in the synthesis of 3-(Bromomethyl)-2,5,6-trimethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione (CAS: 71418-44-5). These include using related compounds with similar functional groups, such as bromomethylated pyrazoles, or employing different reagents like bromoacetamide or bromomethyl ketones. Each alternative may have varying reactivity and yield characteristics.

What is the market or research trend for 3-(Bromomethyl)-2,5,6-trimethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione (CAS: 71418-44-5)?

The market for 3-(Bromomethyl)-2,5,6-trimethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione (CAS: 71418-44-5) is growing due to its potential applications in drug discovery and synthesis. Research trends are focused on developing its use in medicinal chemistry and organic synthesis. Market dynamics suggest an increasing demand in pharmaceutical and industrial sectors, driving further investigation and application development.

How should waste containing 3-(Bromomethyl)-2,5,6-trimethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione (CAS: 71418-44-5) be handled?

Waste containing 3-(Bromomethyl)-2,5,6-trimethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione (CAS: 71418-44-5) should be collected in appropriate containers and disposed of through incineration or professional waste disposal services. Ensure that waste handling and disposal comply with local environmental regulations. Protective measures and proper ventilation should be maintained during the handling process to minimize exposure risks.