Methyl 1H-1,2,4-triazole-3-carboxylate

Basic Information

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CAS Number

4928-88-5

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 Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Melting Point

196-199 °C

Boiling Point

283.9°C at 760 mmHg

Density

1.3800

Flash Point

125.5℃

Refractive Index

1.534

SMILES

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COC(=O)C1=NC=NN1

InChI

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

InChIKey

QMPFMODFBNEYJH-UHFFFAOYSA-N

LogP

-0.40870000000000006

Topological Polar Surface Area

67.87 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

116

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

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

methyl1H-1,2,4-triazole-3-carboxylate
methyl 1H-1,2,4-triazole-5-carboxylate
BP-20318
4928-88-5
AKOS005442001
1H-1,2,4-Triazole-3-carboxylic acid, methyl ester
2,6-DIFLUORO-3-METHYLPHENYLACETICACID
1H-1,2,4-triazole-5-carboxylic acid methyl ester
1,2,4-triazole-3-carboxylic acid methyl ester
2227213-13-8
EN300-53054
Methyl-1H-1,2,4-triazole-3-carboxylate
1H-1,2,4-Triazole-3-carboxylic acid methyl ester
AS-10771
A851751
F14150
methyl 4H-1,2,4-triazole-3-carboxylate
1,2,4-Triazole-3-Carboxylic Acid Methylester
A827695
[1,2,4]triazole-3-carboxylic acid methyl ester
Methyl-1H-1,2,4-triazole-3-carboxylate, 98%
QMPFMODFBNEYJH-UHFFFAOYSA-N
SCHEMBL538234
SY015262
AM87007
NS00077881
CCG-321689
CS-W007685
FT-0606246
methyl 1H-1,2,4-triazole-3-carboxylate
M2368

MDL Number

MFCD00135989

Customs Code

2942000000

FAQ

What is Methyl 1H-1,2,4-triazole-3-carboxylate (CAS: 4928-88-5)?

Methyl 1H-1,2,4-triazole-3-carboxylate (CAS: 4928-88-5) is an organic compound with the chemical formula C4H6N4O2. It features a 1,2,4-triazole ring linked to a carboxylate group and a methyl substituent. This compound is known for its stability and is commonly used as an intermediate in pharmaceutical and chemical synthesis applications.

What are the main uses of Methyl 1H-1,2,4-triazole-3-carboxylate (CAS: 4928-88-5)?

Methyl 1H-1,2,4-triazole-3-carboxylate (CAS: 4928-88-5) is primarily utilized in pharmaceuticals for developing antifungal and antiviral agents. It also serves as a key intermediate in agrochemicals, materials science, and research for synthesizing derivatives with diverse functional properties. Its versatility makes it valuable in organic chemistry applications.

Is Methyl 1H-1,2,4-triazole-3-carboxylate (CAS: 4928-88-5) safe?

Methyl 1H-1,2,4-triazole-3-carboxylate (CAS: 4928-88-5) is generally considered safe when handled properly. However, it may cause mild irritation to skin or eyes. Safety standards recommend using personal protective equipment (PPE) like gloves and goggles, and working in well-ventilated areas. Always follow guidelines from regulatory bodies for safe handling.

How should Methyl 1H-1,2,4-triazole-3-carboxylate (CAS: 4928-88-5) be stored?

Store Methyl 1H-1,2,4-triazole-3-carboxylate (CAS: 4928-88-5) in a cool, dry, and dark place, ideally at 2-8°C. Keep it in a sealed container to prevent moisture exposure and maintain stability. Avoid contact with air or light to preserve its chemical integrity and ensure safe storage conditions.