1,3,4-oxadiazole-2-carbaldehyde

Basic Information

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CAS Number

885270-60-0

Molecular Formula

C3H2N2O2

Molecular Weight

98.06 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

Boiling Point

197.4±23.0°C at 760 mmHg

SMILES

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C1=NN=C(O1)C=O

InChI

InChI=1S/C3H2N2O2/c6-1-3-5-4-2-7-3/h1-2H

InChIKey

JRHGBKDABZXVDJ-UHFFFAOYSA-N

LogP

-0.11790

Complexity

75.3

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

1,3,4-OXADIAZOLE-2-CARBALDEHYDE
DTXSID90652850
oxomethyl-1,3,4-oxadiazol
EN300-2972825
AKOS006238121
SY312307
885270-60-0
MFCD08234699
FT-0690842
1,3,4-Oxadiazole-2-carboxaldehyde
1,3,4-Oxadiazole-2-carbaldehyde
1,3,4-oxadiazole-2-carbaldehyde
[1,3,4]Oxadiazole-2-carbaldehyde

MDL Number

MFCD08234699

FAQ

What are the physical and chemical properties of 1,3,4-oxadiazole-2-carbaldehyde (CAS: 885270-60-0)?

1,3,4-Oxadiazole-2-carbaldehyde (CAS: 885270-60-0) is a crystalline solid with a molecular weight of approximately 136.12 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and acetone. The compound is known for its reactive nature, particularly towards nucleophiles, making it suitable for various synthetic transformations.

How is 1,3,4-oxadiazole-2-carbaldehyde (CAS: 885270-60-0) typically synthesized?

1,3,4-Oxadiazole-2-carbaldehyde (CAS: 885270-60-0) can be synthesized through the condensation of isoxazole-3-carbaldehyde with hydroxylamine. The process involves the use of anhydrous solvents and typically requires a heating step to drive the reaction to completion. Catalysts such as concentrated sulfuric acid can facilitate the synthesis, leading to good yields and selectivity.

What industries use 1,3,4-oxadiazole-2-carbaldehyde (CAS: 885270-60-0)?

1,3,4-Oxadiazole-2-carbaldehyde (CAS: 885270-60-0) is primarily used in the pharmaceutical industry for the synthesis of complex organic molecules and in the development of new drug candidates. It also finds applications in the polymer industry as a monomer for the production of advanced materials, and in the semiconductor industry as a precursor for electronic materials.

What precautions should be taken when handling 1,3,4-oxadiazole-2-carbaldehyde (CAS: 885270-60-0)?

When handling 1,3,4-oxadiazole-2-carbaldehyde (CAS: 885270-60-0), it is crucial to use proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a fume hood and away from moisture to prevent hydrolysis. In case of a spill, the area should be immediately cleaned up with appropriate absorbent material, and the area should be ventilated. Emergency response procedures and a Safety Data Sheet (SDS) should always be readily available.