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

Basic Information

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CAS Number

815588-93-3

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

Boiling Point

369.5±25.0°C at 760 mmHg

SMILES

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CN1C(=NC=N1)C(=O)O

InChI

InChI=1S/C4H5N3O2/c1-7-3(4(8)9)5-2-6-7/h2H,1H3,(H,8,9)

InChIKey

RALLMKCACFMPNR-UHFFFAOYSA-N

LogP

-0.48669999999999997

Topological Polar Surface Area

68.01 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

127

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

1-Methyl-1H-1,2,4-triazole-5-carboxylic acid
1-methyl-1H-1,2,4-triazole-5-carboxylic acid
RALLMKCACFMPNR-UHFFFAOYSA-N
SY066072
2-methyl-1,2,4-triazole-3-carboxylic acid
DTXSID20679691
1-Methyl-1H-1,2,4-triazole-5-carboxylicacid
SCHEMBL2214845
815588-93-3
MFCD11100092
AKOS006309224
DA-29247
ALBB-037341
CS-0044072
EN300-298683
TS-00008

MDL Number

MFCD11100092

FAQ

What is 1-Methyl-1H-1,2,4-triazole-5-carboxylic acid (CAS: 815588-93-3)?

1-Methyl-1H-1,2,4-triazole-5-carboxylic acid (CAS: 815588-93-3) is a chemical compound with a molecular formula of C5H7N3O2. It is a derivative of triazole with a carboxylic acid group attached to the methyl group.

What are the main uses of 1-Methyl-1H-1,2,4-triazole-5-carboxylic acid (CAS: 815588-93-3)?

1-Methyl-1H-1,2,4-triazole-5-carboxylic acid is primarily used in the synthesis of pharmaceuticals, particularly in the development of antifungal drugs. It also finds applications in the preparation of other organic compounds and as a research reagent.

Is 1-Methyl-1H-1,2,4-triazole-5-carboxylic acid (CAS: 815588-93-3) safe?

1-Methyl-1H-1,2,4-triazole-5-carboxylic acid (CAS: 815588-93-3) is generally considered safe when handled with proper precautions. However, it is important to follow safety guidelines, including wearing appropriate personal protective equipment, and storing it in a cool, dry place away from heat sources.

How should 1-Methyl-1H-1,2,4-triazole-5-carboxylic acid (CAS: 815588-93-3) be stored?

1-Methyl-1H-1,2,4-triazole-5-carboxylic acid (CAS: 815588-93-3) should be stored in a tightly sealed container in a cool, dry place, away from direct sunlight and heat sources. It should be kept at temperatures below 30°C to prevent degradation and ensure stability.