1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid

Basic Information

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CAS Number

139755-99-0

Molecular Formula

C8H12N2O2

Molecular Weight

168.2 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

Boiling Point

330.3°C at 760 mmHg

SMILES

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CCCC1=NN(C(=C1)C(=O)O)C

InChI

InChI=1S/C8H12N2O2/c1-3-4-6-5-7(8(11)12)10(2)9-6/h5H,3-4H2,1-2H3,(H,11,12)

InChIKey

KOABFSONXOOIIH-UHFFFAOYSA-N

LogP

1.0708

Topological Polar Surface Area

55.120000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

172

Safety Information

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Hazard Statement

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

EU-0085829
1-methyl-3-propylpyrazole-5-carboxylic acid, AldrichCPR
AKOS000300177
N12123
MFCD02169703
SCHEMBL727
1-Methyl-3-propyl-1H-pyrazole-5-carboxylicacid
SR-01000530147-1
1-methyl-3-propylpyrazole-5-carboxylic acid
139755-99-0
1H-Pyrazole-5-carboxylic acid, 1-methyl-3-propyl-
1-Methyl-3-propyl-5-pyrazole carboxylic acid
ChemDiv2_002308
SB33319
J-504931
1-Methyl-3-n-propylpyrazole-5-carboxylic acid
2-methyl-5-propylpyrazole-3-carboxylic acid
Pyrazole-5-carboxylic acid, 1-methyl-3-propyl-
SR-01000530147
1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid
BCP18688
1-Methyl-3-propyl-1H-5-pyrazole carboxylic acid
HMS1375I20
MS-2208
FT-0643314
1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid #
2-Methyl-5-propyl-2H-pyrazole-3-carboxylic acid
DTXSID10343157
CS-0006634
AC-26376
EN300-125557

MDL Number

MFCD02169703

FAQ

What regulatory guidelines apply to 1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid (CAS: 139755-99-0)?

1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid (CAS: 139755-99-0) is regulated under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) for its potential toxicity and flammability. It falls under REACH regulations in the EU, requiring manufacturers and importers to register substances above 1 tonne per year. FDA and EPA guidelines apply for its use in food and environmental contexts, respectively.

Are there alternatives to 1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid (CAS: 139755-99-0) in synthesis?

There are several alternatives to 1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid (CAS: 139755-99-0) in synthesis, such as 1-ethyl-3-propyl-1H-pyrazole-5-carboxylic acid and 1-isopropyl-3-propyl-1H-pyrazole-5-carboxylic acid. These analogs can be used as substitutes depending on the desired properties and reaction conditions. Common alternative reagents include substituted pyrazoles and carboxylic acids.

What is the market or research trend for 1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid (CAS: 139755-99-0)?

The market for 1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid (CAS: 139755-99-0) has shown steady growth, driven by its use in pharmaceuticals and agrochemicals. Research trends indicate an increasing focus on its potential as a fungicide and as a molecule for drug discovery. Market trends suggest growing interest in its synthesis and application in both industrial and academic settings.

How should waste containing 1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid (CAS: 139755-99-0) be handled?

Waste containing 1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid (CAS: 139755-99-0) should be collected in appropriate containers and stored in a well-ventilated area. Incineration is a common disposal method, but professional waste disposal services are recommended for larger quantities. Environmental precautions include ensuring no spills occur to avoid contamination. Follow local and national regulations for hazardous waste management.