3-Isopropyl-1-methyl-1H-pyrazole-5-carboxylic acid

Basic Information

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CAS Number

78208-73-8

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

310.1°C at 760 mmHg

Density

1.19±0.1 g/cm3 (20 ºC 760 Torr),

Flash Point

141.3°C

Refractive Index

1.555

SMILES

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CC(C)C1=NN(C(=C1)C(=O)O)C

InChI

InChI=1S/C8H12N2O2/c1-5(2)6-4-7(8(11)12)10(3)9-6/h4-5H,1-3H3,(H,11,12)

InChIKey

FJPHBZNCWOYBDN-UHFFFAOYSA-N

LogP

1.2417

Topological Polar Surface Area

55.12 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

182

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

Synonyms & References

English

A851406
3-Isopropyl-1-methyl-1H-pyrazole-5-carboxylicacid
SCHEMBL316007
FJPHBZNCWOYBDN-UHFFFAOYSA-N
AKOS000275839
AMY6448
1H-Pyrazole-5-carboxylicacid, 1-methyl-3-(1-methylethyl)-
CS-0055093
2-methyl-5-propan-2-ylpyrazole-3-carboxylic acid
5-Isopropyl-2-methyl-2H-pyrazole-3-carboxylic acid
78208-73-8
Z431973754
HMS1697K17
1-Methyl-3-(Propan-2-Yl)-1H-Pyrazole-5-Carboxylic Acid
1-METHYL-3-ISOPROPYL-1H-PYRAZOLE-5-CARBOXYLICACID
3-Isopropyl-1-methyl-1H-pyrazole-5-carboxylic acid, AldrichCPR
DTXSID70390127
VS-03347
EN300-96948
MFCD07186363
3-Isopropyl-1-methyl-1H-pyrazole-5-carboxylic acid
F3379-0351
FT-0687728
BB 0219177
1-methyl-3-(methylethyl)pyrazole-5-carboxylic acid
3-isopropyl-1-methylpyrazole-5-carboxylic acid
AC1MKHW0
AC1Q1OXS
CTK2H5978
SureCN316007
1-methyl-3-(propan-2-yl)-1H-pyrazole-5-carboxylic acid

MDL Number

MFCD07186363

FAQ

What is 3-Isopropyl-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 78208-73-8)?

3-Isopropyl-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 78208-73-8) is a chemical compound with the formula C9H13N2O2. It is an aromatic organic acid with a pyrazole ring structure. This compound is colorless and has a pungent odor. It is used in various industries including pharmaceuticals and research due to its unique chemical properties.

What are the main uses of 3-Isopropyl-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 78208-73-8)?

3-Isopropyl-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 78208-73-8) is primarily used in pharmaceutical research for its pharmacological activity. It is also utilized in the development of new drugs and as an intermediate in chemical synthesis. Additionally, this compound can be found in certain industrial applications and is occasionally used in flavor and fragrance formulations.

Is 3-Isopropyl-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 78208-73-8) safe?

3-Isopropyl-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 78208-73-8) is generally considered safe under normal handling conditions. However, it is important to follow all safety precautions when working with this chemical. Users should wear appropriate personal protective equipment, such as gloves and safety goggles, and ensure proper ventilation. Avoid contact with eyes, skin, and inhalation of the compound. Spills should be cleaned up immediately using appropriate methods.

How should 3-Isopropyl-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 78208-73-8) be stored?

3-Isopropyl-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 78208-73-8) should be stored in a cool, dry place away from direct sunlight and sources of heat. It should be kept in a tightly sealed container to prevent moisture absorption. The storage area should be well-ventilated and free from any potential ignition sources. It is advisable to store this compound in its original packaging to maintain its stability and purity.