3-Methyl-1H-1,2,4-triazole-5-carboxylic acid

Basic Information

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CAS Number

7169-98-4

Molecular Formula

C4H5N3O2

Molecular Weight

127.1 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

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

SMILES

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CC1=NC(=NN1)C(=O)O

InChI

InChI=1S/C4H5N3O2/c1-2-5-3(4(8)9)7-6-2/h1H3,(H,8,9)(H,5,6,7)

InChIKey

QMTMACYGCXTDJL-UHFFFAOYSA-N

LogP

-0.18867999999999996

Topological Polar Surface Area

78.87 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

127

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

1H-1,2,4-Triazole-3-carboxylic acid, 5-methyl-
DTXSID20609256
5-methyl-1H-1,2,4-triazole-3-carboxylic acid
LS-04013
AKOS005173912
MFCD13248725
AKOS000303309
FT-0678724
3-methyl-1,2,4-triazole-5-carboxylic acid
AKOS006237868
SCHEMBL5364441
AB12749
BB 0259241
SCHEMBL14770091
7169-98-4
5-Methyl-2H-[1,2,4]triazole-3-carboxylic acid
AB57423
5-methyl-4H-1,2,4-triazole-3-carboxylic acid
AMY14004
3-methyl-1H-1,2,4-triazole-5-carboxylic acid
EN300-146008
A866388
3-METHYL-1H-1,2,4-TRIAZOLE-5-CARBOXYLICACID
CS-0455203
3-Methyl-1H-1,2,4-triazole-5-carboxylic acid
5-METHYL-2H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID
5-Methyl-4H-[1,2,4]triazole-3-carboxylic acid
5-METHYL-2H-[1,2,4]TRIAZOLE-3-CARBOXYLIC ACID

MDL Number

MFCD13248725

Customs Code

2933990090

FAQ

What is 3-Methyl-1H-1,2,4-triazole-5-carboxylic acid (CAS: 7169-98-4)?

3-Methyl-1H-1,2,4-triazole-5-carboxylic acid (CAS: 7169-98-4) is an organic compound with the molecular formula C5H5N3O2. It is a colorless solid with a characteristic odor and is used in various applications including pharmaceuticals and as a reagent in organic synthesis. It is soluble in water and ethanol.

What are the main uses of 3-Methyl-1H-1,2,4-triazole-5-carboxylic acid (CAS: 7169-98-4)?

3-Methyl-1H-1,2,4-triazole-5-carboxylic acid is primarily used as a precursor in the synthesis of other chemical compounds, particularly in the pharmaceutical industry. It is also used in research as a reagent for organic chemistry reactions.

Is 3-Methyl-1H-1,2,4-triazole-5-carboxylic acid (CAS: 7169-98-4) safe?

3-Methyl-1H-1,2,4-triazole-5-carboxylic acid (CAS: 7169-98-4) is generally considered safe for laboratory use, but it is important to handle it with appropriate safety measures. Wear appropriate personal protective equipment such as gloves and goggles to avoid skin and eye contact. It is also important to store it in a well-ventilated area and avoid inhalation of dust or fumes.

How should 3-Methyl-1H-1,2,4-triazole-5-carboxylic acid (CAS: 7169-98-4) be stored?

3-Methyl-1H-1,2,4-triazole-5-carboxylic acid (CAS: 7169-98-4) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. Store it at room temperature (15-25°C) and avoid exposure to humidity and moisture.