Ethyl 1H-tetrazole-5-carboxylate

Basic Information

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CAS Number

55408-10-1

Molecular Formula

C4H6N4O2

Molecular Weight

142.12 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

88-93 ºC

SMILES

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CCOC(=O)C1=NNN=N1

InChI

InChI=1S/C4H6N4O2/c1-2-10-4(9)3-5-7-8-6-3/h2H2,1H3,(H,5,6,7,8)

InChIKey

JBEHAOGLPHSQSL-UHFFFAOYSA-N

LogP

-0.6236000000000002

Topological Polar Surface Area

80.75999999999999 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

128

Safety Information

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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

AC-7605
Ethyl 1H-tetrazole-5-carboxylate
ethyl 1H-1,2,3,4-tetrazole-5-carboxylate
1H-Tetrazole-5-carboxylic acid ethyl ester
Ethyl1H-tetrazole-5-carboxylate
Ethyl Tetrazole-5-Carboxylate
Ethyl 2H-tetrazole-5-carboxylate
A830631
AKOS016344443
ethyl tetrazol-5-carboxylate
ethyl-1H-tetrazole-5-carboxylate
E1432
D70656
FT-0600866
55408-10-1
SCHEMBL1563950
EN300-90227
JBEHAOGLPHSQSL-UHFFFAOYSA-N
5-ethoxycarbonyltetrazole
MFCD00243017
Z1198152908
(-)-TRANS-MYRTANYLACETATE
AKOS005265064
BB 0261691
AS-14749
DTXSID80427236
1H-Tetrazolyl-1-carboxylic acid ethyl ester
J-520545
FT-0650833
1H-Tetrazole-5-carboxylic acid, ethyl ester
SY104920

MDL Number

MFCD00243017

Customs Code

2933990090

FAQ

What regulatory guidelines apply to Ethyl 1H-tetrazole-5-carboxylate (CAS: 55408-10-1)?

Ethyl 1H-tetrazole-5-carboxylate (CAS: 55408-10-1) should comply with the Global Harmonization System (GHS) for classification and labeling. It is subject to REACH regulations in the European Union, which require registration for substances above 1 tonne annually. In the U.S., FDA and EPA regulations may apply for its use in food additives and environmental discharges, respectively.

Are there alternatives to Ethyl 1H-tetrazole-5-carboxylate (CAS: 55408-10-1) in synthesis?

Alternatives to Ethyl 1H-tetrazole-5-carboxylate (CAS: 55408-10-1) in synthesis include other tetrazole derivatives such as methyl- or phenyl-tetrazole carboxylates. Common alternative reagents include substituted amines or thioureas, which can serve as precursors to tetrazole derivatives.

What is the market or research trend for Ethyl 1H-tetrazole-5-carboxylate (CAS: 55408-10-1)?

Research trends for Ethyl 1H-tetrazole-5-carboxylate (CAS: 55408-10-1) indicate increasing interest in its use as a building block for heterocyclic compounds and in drug discovery. Market trends show growing demand in pharmaceuticals and materials science, driven by its unique properties and potential applications.

How should waste containing Ethyl 1H-tetrazole-5-carboxylate (CAS: 55408-10-1) be handled?

Waste containing Ethyl 1H-tetrazole-5-carboxylate (CAS: 55408-10-1) should be collected in appropriate containers and handled in accordance with local regulations. Proper disposal methods include incineration or professional waste disposal services to ensure environmental safety. Protective measures, such as gloves and goggles, should be worn during handling to prevent exposure.