5-isopropyl-1H-pyrazole-3-carboxylic acid

Basic Information

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CAS Number

92933-47-6

Molecular Formula

C7H10N2O2

Molecular Weight

154.17 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

Melting Point

153-157 °C

Boiling Point

153-157 ℃

Density

1.247±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

170.2°C

Refractive Index

1.558

SMILES

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CC(C)C1=CC(=NN1)C(=O)O

InChI

InChI=1S/C7H10N2O2/c1-4(2)5-3-6(7(10)11)9-8-5/h3-4H,1-2H3,(H,8,9)(H,10,11)

InChIKey

CHWXKAHFWLSLOQ-UHFFFAOYSA-N

LogP

1.2313

Topological Polar Surface Area

65.98 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

159

Safety Information

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GHS Hazard Pictograms

H317

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

5-Isopropyl-1H-pyrazole-3-carboxylic acid
3-Isopropylpyrazole-5-carboxylic acid
5-isopropyl-2H-pyrazole-3-carboxylic acid
3-isopropyl-1H-pyrazole-5-carboxylic acid
5-ISOPROPYLPYRAZOLE-3-CARBOXYLIC ACID
3-(propan-2-yl)-1H-pyrazole-5-carboxylic acid
1H-Pyrazole-3-carboxylic acid, 5-(1-methylethyl)-
CHWXKAHFWLSLOQ-UHFFFAOYSA-N
5-(propan-2-yl)-1H-pyrazole-3-carboxylic acid
5-isopropyl-1H-pyrazol-3-carboxylic acid
3-(methylethyl)pyrazole-5-carboxylic acid
PubChem22754
ChemDiv2_003364
Oprea1
5-(1-Methylethyl)-1H-pyrazole-3-carboxylic acid (ACI)
3-Isopropyl-2H-pyrazole-3-carboxylic acid
5-isopropyl-1H-pyrazole-3-carboxylic acid
BDBM50211363
SCHEMBL1739326
CHEMBL238002
Oprea1_115867
5-propan-2-yl-1H-pyrazole-3-carboxylic acid
5-isopropylpyrazol-3-carboxylic acid
3-Isopropylpyrazole-5-carboxylic acid, 97%
HMS2480B08
EN300-41163
H11619
MFCD02224142
MFCD05170240
5-isopropyl-3-carboxyl-pyrazole
AKOS002436024

MDL Number

MFCD02224142

Customs Code

2933199090

FAQ

What regulatory guidelines apply to 5-isopropyl-1H-pyrazole-3-carboxylic acid (CAS: 92933-47-6)?

5-Isopropyl-1H-pyrazole-3-carboxylic acid (CAS: 92933-47-6) falls under various regulatory guidelines including GHS classification, REACH regulations, and FDA/EPA requirements. It is classified as a chemical substance that requires proper labeling according to GHS. REACH requires manufacturers and importers to register the substance if the annual tonnage exceeds 1 ton. FDA and EPA regulations focus on its use in pharmaceuticals and environmental impact respectively.

Are there alternatives to 5-isopropyl-1H-pyrazole-3-carboxylic acid (CAS: 92933-47-6) in synthesis?

Alternatives to 5-isopropyl-1H-pyrazole-3-carboxylic acid (CAS: 92933-47-6) include similar isomers such as 5-ethyl-1H-pyrazole-3-carboxylic acid and 5-tert-butyl-1H-pyrazole-3-carboxylic acid. Other common reagents used in synthesis include substituted pyrazoles and carboxylic acids. These alternatives can offer similar functionalities but with different physical and chemical properties.

What is the market or research trend for 5-isopropyl-1H-pyrazole-3-carboxylic acid (CAS: 92933-47-6)?

The market for 5-isopropyl-1H-pyrazole-3-carboxylic acid (CAS: 92933-47-6) is growing due to its applications in pharmaceuticals and as a building block for organic synthesis. Research trends are focusing on its use as a precursor for drug discovery and as a material in functional polymers. The increasing emphasis on sustainable chemistry and green chemistry is also driving the research and development of this compound.

How should waste containing 5-isopropyl-1H-pyrazole-3-carboxylic acid (CAS: 92933-47-6) be handled?

Waste containing 5-isopropyl-1H-pyrazole-3-carboxylic acid (CAS: 92933-47-6) should be collected in a manner that prevents spillage and contamination. Incineration is a common method for disposal, and it should be done under controlled conditions to avoid environmental impact. Professional waste disposal services can provide safe and compliant handling and disposal of this waste substance. Proper environmental protection measures and adherence to local regulations are crucial.