4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid

Basic Information

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CAS Number

84547-84-2

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

235-236 ºC

Boiling Point

347.4°C at 760 mmHg

Density

1.93±0.1 g/cm3 (20 ºC 760 Torr),

Flash Point

163.9 °C

SMILES

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Cn1ncc(Br)c1C(=O)O

InChI

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

InChIKey

YXIJCAVZGBGUKM-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 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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid
1H-Pyrazole-5-carboxylicacid, 4-bromo-1-methyl-
4-bromo-1-methylpyrazole-3-carboxy acid
4-BROMO-2-METHYL-2H-PYRAZOLE-3-CARBOXYLIC ACID
4-Brom-2-methyl-2H-pyrazol-3-carbonsaeure
4-bromo-1-methylpyrazole-5-carboxylic acid
4-BroMo-2-Methylpyrazole-3-carboxylic acid
N-methyl-4-bromopyrazole-3-carboxylic acid
N-methyl-4-bromopyrazole-5-carboxylic acid
1H-Pyrazole-5-carboxylic acid, 4-bromo-1-methyl-
YXIJCAVZGBGUKM-UHFFFAOYSA-N
TimTec1_000450
zlchem 596
PubChem19973
1H-Pyrazole-5-carboxylicacid,4-bromo-1-methyl-
MLS000685520
ZLD0043
HMS1535E10
HMS2618K16
4-bromo-1-methyl-1H-pyrazole-5-carboxylic acid

MDL Number

MFCD00463982

Customs Code

2933199090

FAQ

What is 4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 84547-84-2)?

4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 84547-84-2) is a chemical compound with a molecular formula C7H6BrNO3. It is a white or off-white solid with a melting point of 266-268°C. This compound is used in pharmaceuticals, research, and as an intermediate in organic synthesis.

What are the main uses of 4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 84547-84-2)?

4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 84547-84-2) is primarily used as an intermediate in the synthesis of pharmaceuticals and other chemical compounds. It is also utilized in research settings for various organic synthesis applications.

Is 4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 84547-84-2) safe?

4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 84547-84-2) is generally safe when handled with appropriate precautions. However, it is important to use personal protective equipment such as gloves and safety glasses. Avoid contact with skin and eyes, and ensure proper ventilation during use.

How should 4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 84547-84-2) be stored?

4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 84547-84-2) should be stored in a cool, dry place away from direct sunlight and moisture. Store it in a tightly sealed container to prevent contamination and degradation. Maintain a temperature of 15-25°C and avoid exposure to extremes of temperature and humidity.