3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Basic Information

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CAS Number

176969-34-9

Molecular Formula

C6H6F2N2O2

Molecular Weight

176.12 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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

315.9°C at 760 mmHg

SMILES

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CN1C=C(C(=N1)C(F)F)C(=O)O

InChI

InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)

InChIKey

RLOHOBNEYHBZID-UHFFFAOYSA-N

LogP

1.0559

Topological Polar Surface Area

55.120000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

188

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

Synonyms & References

English

SCHEMBL20141
MFCD11865267
1H-Pyrazole-4-carboxylicacid,3-(difluoromethyl)-1-methyl-
CSAA798670
3-difluoromethyl-1-methylpyrazole-4-carboxylic acid
difluoromethyl-1-methyl-1H-pyrazole-4-carboxylic acid
20527OAN56
AKOS015908989
3-(DIFLUOROMETHYL)-1-METHYLPYRAZOLE-4-CARBOXYLIC ACID
AMY3641
Fluxapyroxad (BAS 700 F)-TP CSAA798670
SY068234
AS-10658
UNII-20527OAN56
BCP06762
EC 700-093-4
Z1255391769
176969-34-9
F8889-4430
1H-Pyrazole-4-carboxylic acid, 3-(difluoromethyl)-1-methyl-
EN300-116871
SB21896
3-difluoromethyl-1-methyl-1H-pyrazole-4-carboxylic acid
Fluxapyroxad metabolite M700F001
Q27253425
A851862
DTXSID80597105
FT-0686495
3-(DIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
3-Difluoromethyl-1-methyl-1H-pyrazol-4-carboxylic acid
3-difluoromethyl-1-methyl-1H-pyrazol-4-ylcarboxylic acid

MDL Number

MFCD11865267

Customs Code

2933199090

FAQ

What is 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid (CAS: 176969-34-9)?

3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid (CAS: 176969-34-9) is a heterocyclic organic compound containing a pyrazole ring. It has the molecular formula C7H6F2N2O2 and is known for its potential pharmaceutical applications. The compound exhibits chemical stability and is typically used in the development of medicinal drugs due to its bioactive properties.

What are the main uses of 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid (CAS: 176969-34-9)?

3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid (CAS: 176969-34-9) is primarily used in pharmaceutical research as a building block for drug discovery. It may serve as an intermediate in the synthesis of compounds with therapeutic potential, particularly in the treatment of inflammatory and neurological conditions. Its unique structure also makes it valuable in agrochemical and material science applications.

Is 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid (CAS: 176969-34-9) safe?

3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid (CAS: 176969-34-9) is generally considered safe when handled properly. However, as with many organic compounds, it should be treated with caution. Safety data sheets (SDS) recommend using appropriate personal protective equipment (PPE) such as gloves and goggles. It is not classified as highly toxic, but inhalation or skin contact should be avoided to ensure safe handling.

How should 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid (CAS: 176969-34-9) be stored?

3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid (CAS: 176969-34-9) should be stored in a cool, dry, and well-ventilated area away from light. It is best kept in a sealed container at a temperature below 25°C to maintain stability. Avoid exposure to moisture and incompatible substances to ensure proper storage and prolong shelf life.