4-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid

Basic Information

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CAS Number

84547-86-4

Molecular Formula

C5H5BrN2O2

Molecular Weight

205.01 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

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

211-213 ºC

Boiling Point

347.4℃/760mmHg

Density

1.93

Flash Point

163.9 °C

SMILES

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O=C(C1=NN(C)C=C1Br)O

InChI

InChI=1S/C5H5BrN2O2/c1-8-2-3(6)4(7-8)5(9)10/h2H,1H3,(H,9,10)

InChIKey

LEEPGDCCHVRYHK-UHFFFAOYSA-N

LogP

0.8808

Topological Polar Surface Area

55.120000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

153

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

4-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid
1H-Pyrazole-3-carboxylic acid, 4-bromo-1-methyl-
4-bromo-1-methylpyrazole-3-carboxylic acid
C5H5BrN2O2
LEEPGDCCHVRYHK-UHFFFAOYSA-N
PubChem16814
ChemDiv2_002212
HMS1375E12
SBB000441
STK315906
BBL016092
ST005604
BC004152
SY013425
AB0032889

MDL Number

MFCD00463988

Customs Code

2933199090

FAQ

What is 4-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid (CAS: 84547-86-4)?

4-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid is an organic compound with the molecular formula C7H6BrNO2. It is a white solid with a distinct odor. This compound has a melting point of 248-250°C and is soluble in water and organic solvents.

What are the main uses of 4-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid (CAS: 84547-86-4)?

4-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid is primarily used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals. It also finds applications in organic chemistry research for the development of new compounds.

Is 4-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid (CAS: 84547-86-4) safe?

4-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid is generally safe when handled with appropriate precautions. It is important to wear protective gloves, goggles, and a lab coat when working with this compound. Avoid contact with eyes and skin, and ensure proper ventilation during handling.

How should 4-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid (CAS: 84547-86-4) be stored?

4-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. Store it at temperatures below 25°C to maintain stability and purity.