1H-1,2,3-Triazole-4-carbaldehyde

Basic Information

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CAS Number

16681-68-8

Molecular Formula

C3H3N3O

Molecular Weight

97.08 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

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

141-142 ºC

Boiling Point

319.3ºC at 760mmHg

Flash Point

151.4ºC

SMILES

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C1=NNN=C1C=O

InChI

InChI=1S/C3H3N3O/c7-2-3-1-4-6-5-3/h1-2H,(H,4,5,6)

InChIKey

MOLKLIYWXFEEJM-UHFFFAOYSA-N

LogP

-0.3828

Topological Polar Surface Area

58.64 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

74.6

Synonyms & References

English

1H-1,2,3-Triazole-4-carbaldehyde
1H-1,2,3-TRIAZOLE-5-CARBALDEHYDE
AKOS006228331
AT36728
AC-5055
1H-1,3-Triazole-4-carboxaldehyde
BB 0261658
16681-68-8
1,2,3-triazole-5-aldehyde
FT-0649183
EN300-183420
1H-[1,2,3]Triazole-4-carbaldehyde, AldrichCPR
F13257
1H-1,2,3-Triazole-4-carbaldehyde #
1H-1,2,3-Triazole-4-carboxaldehyde
MFCD12910478
1H-[1,2,3]Triazole-4-carbaldehyde
2h-1,2,3-triazole-4-carbaldehyde
2H-triazole-4-carbaldehyde
AB28395
triazole aldehyde
NSC 20115
v-Triazole-4-carboxaldehyde
AKOS016000066
NSC-20115
1H-INDAZOLE-1-ACETIC ACID
NSC20115
2H-1,2,3-Triazole-4-carboxaldehyde
DTXSID70281102
CS-0147648
4343-71-9

MDL Number

MFCD06739016

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 1H-1,2,3-Triazole-4-carbaldehyde (CAS: 16681-68-8)?

1H-1,2,3-Triazole-4-carbaldehyde (CAS: 16681-68-8) is a white or off-white crystalline solid. Its molecular weight is approximately 143.11 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and acetone. It is highly reactive, particularly towards nucleophiles and reducing agents. It undergoes condensation reactions easily and can form stable complexes with metal ions.

How is 1H-1,2,3-Triazole-4-carbaldehyde (CAS: 16681-68-8) typically synthesized?

1H-1,2,3-Triazole-4-carbaldehyde (CAS: 16681-68-8) can be synthesized via the condensation of 4-formyl-1H-1,2,3-triazole with itself or with other suitable precursors. Commonly, this involves the use of a catalyst like concentrated sulfuric acid or glacial acetic acid. The yield is generally good, and the reaction is highly selective, producing the desired aldehyde with high purity.

What industries use 1H-1,2,3-Triazole-4-carbaldehyde (CAS: 16681-68-8)?

1H-1,2,3-Triazole-4-carbaldehyde (CAS: 16681-68-8) is used in various industries, including pharmaceuticals, where it serves as a building block for drug synthesis. It is also used in the production of polymers for electronics and semiconductors. Additionally, this compound is employed in the development of sensors and as a reagent in chemical research.

What precautions should be taken when handling 1H-1,2,3-Triazole-4-carbaldehyde (CAS: 16681-68-8)?

Handling 1H-1,2,3-Triazole-4-carbaldehyde (CAS: 16681-68-8) requires caution due to its reactivity and potential health hazards. Always wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Work in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate absorbents, and the area should be flushed with water. Ensure that you have a Safety Data Sheet (SDS) available for reference and follow all laboratory safety protocols.