1,3-Benzoxazole-6-carbaldehyde

Basic Information

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CAS Number

865449-97-4

Molecular Formula

C8H5NO2

Molecular Weight

147.13 g/mol

Basic Physical Properties

SMILES

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O=CC1=CC2=C(C=C1)N=CO2

InChI

InChI=1S/C8H5NO2/c10-4-6-1-2-7-8(3-6)11-5-9-7/h1-5H

InChIKey

AAXBJXNWZVAVDH-UHFFFAOYSA-N

LogP

1.6403

Topological Polar Surface Area

43.1 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

160

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

Benzo[d]oxazole-6-carbaldehyde
1,3-Benzoxazole-6-carbaldehyde
6-Benzoxazolecarboxaldehyde
3572AC
FCH834709
AX8224753
ST24024621
F10050
1,3-benzoxazole-6-carbaldehyde

MDL Number

MFCD11040758

FAQ

What are the physical and chemical properties of 1,3-Benzoxazole-6-carbaldehyde (CAS: 865449-97-4)?

1,3-Benzoxazole-6-carbaldehyde is a crystalline solid with a molecular weight of approximately 182.17 g/mol. It has a low solubility in water but is more soluble in organic solvents like methanol and acetone. Chemically, it is relatively stable but can undergo condensation reactions with amines and other nucleophiles. Its vapor pressure is very low, and it is slightly reactive under basic conditions.

How is 1,3-Benzoxazole-6-carbaldehyde (CAS: 865449-97-4) typically synthesized?

1,3-Benzoxazole-6-carbaldehyde is often synthesized via the condensation of benzaldehyde and oxazole, or by the alkylation of 1,3-benzoxazine-6-carbonitrile. The reaction typically involves the use of a base like sodium hydroxide to promote deprotonation and subsequent nucleophilic substitution. The yield is generally good, and the product can be purified by recrystallization.

What industries use 1,3-Benzoxazole-6-carbaldehyde (CAS: 865449-97-4)?

1,3-Benzoxazole-6-carbaldehyde finds applications in the pharmaceutical industry for the synthesis of bioactive compounds and in the production of polymers with enhanced thermal stability. It is also used in the development of sensors due to its characteristic chemical reactivity and in semiconductor technology for its electronic properties.

What precautions should be taken when handling 1,3-Benzoxazole-6-carbaldehyde (CAS: 865449-97-4)?

When handling 1,3-Benzoxazole-6-carbaldehyde, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to avoid inhalation risks. Spills should be cleaned up using appropriate absorbents, and proper waste disposal procedures should be followed. Always refer to a safety data sheet (SDS) for detailed handling instructions and emergency procedures.