Ethyl 3-chloro-1H-1,2,4-triazole-5-carboxylate

Basic Information

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CAS Number

774608-88-7

Molecular Formula

C5H6ClN3O2

Molecular Weight

175.58 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

Agricultural Chemicals Pesticides Herbicides

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

337°C at 760 mmHg

SMILES

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CCOC(=O)C1=NNC(=N1)Cl

InChI

InChI=1S/C5H6ClN3O2/c1-2-11-4(10)3-7-5(6)9-8-3/h2H2,1H3,(H,7,8,9)

InChIKey

WBHBIABCHFSRAJ-UHFFFAOYSA-N

LogP

0.6348

Topological Polar Surface Area

67.87 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

155

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

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

Ethyl 5-Chloro-4H-1,2,4-triazole-3-carboxylate
AKOS006307298
DS-0408
MFCD11040186
1H-1,2,4-Triazole-3-carboxylic acid, 5-chloro-, ethyl ester
DTXSID30680899
774608-88-7
SCHEMBL17619378
SY022424
Ethyl 5-chloro-1H-1,2,4-triazole-3-carboxylate
5-chloro-1h-1,2,4-triazole-3-carboxylic acid ethyl ester
Ethyl5-chloro-1H-1,2,4-triazole-3-carboxylate
CS-0151654
FT-0646544
1H-1,2,4-Triazole-3-carboxylicacid, 5-chloro-, ethyl ester
5-?chloro-1H-?1,?2,?4-?Triazole-?3-?carboxylic acid? ethyl ester
5-CHLORO-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
FCH886586
AB0026682
AX8158988
ST24030647
W8403

MDL Number

MFCD11040186

Customs Code

2933990090

FAQ

What regulatory guidelines apply to Ethyl 3-chloro-1H-1,2,4-triazole-5-carboxylate (CAS: 774608-88-7)?

Ethyl 3-chloro-1H-1,2,4-triazole-5-carboxylate (CAS: 774608-88-7) must comply with the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations, and FDA/EPA requirements. It should be classified as a hazardous substance based on its properties, ensuring proper labeling, storage, and disposal. Manufacturers and suppliers must register with REACH and provide Material Safety Data Sheets (MSDS) detailing its hazards and handling procedures.

Are there alternatives to Ethyl 3-chloro-1H-1,2,4-triazole-5-carboxylate (CAS: 774608-88-7) in synthesis?

Alternatives to Ethyl 3-chloro-1H-1,2,4-triazole-5-carboxylate (CAS: 774608-88-7) include other triazole derivatives such as 1H-1,2,4-triazole-5-carboxylic acid, which can be used as a starting material or intermediate. Other synthetic routes involving different functional groups or structural analogs can also be explored, depending on the specific application and desired properties of the final product.

What is the market or research trend for Ethyl 3-chloro-1H-1,2,4-triazole-5-carboxylate (CAS: 774608-88-7)?

The market for Ethyl 3-chloro-1H-1,2,4-triazole-5-carboxylate (CAS: 774608-88-7) is growing due to its use in pharmaceuticals, agrochemicals, and materials science. Research trends indicate increasing focus on developing new derivatives with enhanced bioactivity and reduced side effects. Additionally, there is interest in exploring its applications in drug discovery and as a potential precursor in green chemistry processes.

How should waste containing Ethyl 3-chloro-1H-1,2,4-triazole-5-carboxylate (CAS: 774608-88-7) be handled?

Waste containing Ethyl 3-chloro-1H-1,2,4-triazole-5-carboxylate (CAS: 774608-88-7) should be collected in appropriate containers labeled with the chemical name and CAS number. It should be disposed of via incineration or through professional waste disposal services that comply with local regulations. Environmental precautions include monitoring for any potential groundwater contamination and ensuring all waste is treated according to regulatory guidelines to prevent ecological harm.