5-Phenyl-1,2-oxazole-3-carbaldehyde

Basic Information

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CAS Number

59985-82-9

Molecular Formula

C10H7NO2

Molecular Weight

173.17 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

Basic Physical Properties

Melting Point

58-62 °C

Boiling Point

361.5°C at 760 mmHg

Density

1.216

Flash Point

172.4°C

Refractive Index

1.588

SMILES

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C1=CC=C(C=C1)C2=CC(=NO2)C=O

InChI

InChI=1S/C10H7NO2/c12-7-9-6-10(13-11-9)8-4-2-1-3-5-8/h1-7H

InChIKey

QRHAQXZGSWFBOK-UHFFFAOYSA-N

LogP

2.1540999999999997

Topological Polar Surface Area

43.1 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

178

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

59985-82-9
5-phenyl-1,2-oxazole-3-carbaldehyde
CS-0060506
5-Phenylisoxazole-3-carboxaldehyde
J-517922
Z1255489785
AKOS005169213
GS-5468
BB 0262070
3-Isoxazolecarboxaldehyde, 5-phenyl-
DTXSID50428295
A869073
QRHAQXZGSWFBOK-UHFFFAOYSA-N
MFCD06798102
5-Phenylisoxazole-3-carboxaldehyde, 97%
SCHEMBL189929
EN300-232417
H10569
5-phenylisoxazole-3-carbaldehyde
FT-0683801
5-Phenylisoxazole-3-carbaldehyde
3-Isoxazolecarboxaldehyde,5-phenyl-
5-PHENYLISOXAZOLE-3-CARBOXALDEHYDE

MDL Number

MFCD06798102

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 5-Phenyl-1,2-oxazole-3-carbaldehyde (CAS: 59985-82-9)?

5-Phenyl-1,2-oxazole-3-carbaldehyde (CAS: 59985-82-9) is a white crystalline solid with a molecular weight of approximately 174.21 g/mol. It has a melting point of 167-168°C and is slightly soluble in water. This compound is reactive towards nucleophiles and electrophiles, making it useful in various synthetic transformations.

How is 5-Phenyl-1,2-oxazole-3-carbaldehyde (CAS: 59985-82-9) typically synthesized?

5-Phenyl-1,2-oxazole-3-carbaldehyde (CAS: 59985-82-9) can be synthesized by the condensation of phenylacetaldehyde with urea in the presence of a strong base like sodium hydroxide. The reaction yields a high yield (typically >90%) and can be carried out in high selectivity, making it a common method for its preparation.

What industries use 5-Phenyl-1,2-oxazole-3-carbaldehyde (CAS: 59985-82-9)?

5-Phenyl-1,2-oxazole-3-carbaldehyde (CAS: 59985-82-9) is used in various industries, including pharmaceuticals for the synthesis of certain drugs, and in the preparation of functional polymers and sensors. It also finds applications in the development of semiconducting materials due to its unique chemical properties.

What precautions should be taken when handling 5-Phenyl-1,2-oxazole-3-carbaldehyde (CAS: 59985-82-9)?

When handling 5-Phenyl-1,2-oxazole-3-carbaldehyde (CAS: 59985-82-9), it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. The compound should be handled in a well-ventilated area or fume hood to minimize inhalation risk. Spills should be cleaned up using appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for specific disposal procedures.