2-Phenyl-1,3-benzoxazole

Basic Information

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CAS Number

833-50-1

Molecular Formula

C13H9NO

Molecular Weight

195.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

101.0 to 105.0 deg-C

Boiling Point

331.88°C (rough estimate)

Density

1.1266 (rough estimate)

Flash Point

118.7ºC

Refractive Index

1.6060 (estimate)

SMILES

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C1=CC=C(C=C1)C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C13H9NO/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H

InChIKey

FIISKTXZUZBTRC-UHFFFAOYSA-N

LogP

3.4948000000000015

Topological Polar Surface Area

26.03 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

213

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

Synonyms & References

English

HMS1539L07
CHEMBL393435
2-Phenylbenzoxazole
AB00540801
2-phenylbenzo[d]oxazole
Phenyl-2 benzoxazole [French]
BRD-K47492555-001-01-6
NSC29105
2-Phenyl-1,3-benzoxazole
CCRIS 7874
Benzoxazole, 2-phenyl-
NSC 29105
Phenyl-2 benzoxazole
2-PHENYL-BENZOXAZOLE
FT-0613326
2-Phenyl-1,3-benzoxazole #
NSC406946
MFCD00012183
2-phenyl benzoxazole
NSC-29105
InChI=1/C13H9NO/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9
P2264
2-phenyl-benzooxazole
NSC 406946
AC-16098
2-Phenylbenzoxazole, 99%
FRB2398AFS
CS-0182175
SCHEMBL127448
A840564
TimTec1_002009

MDL Number

MFCD00012183

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 2-Phenyl-1,3-benzoxazole (CAS: 833-50-1)?

2-Phenyl-1,3-benzoxazole is a crystalline solid with a molecular weight of 174.22 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and acetone. The compound shows good thermal stability and is known for its moderate reactivity, particularly in electrophilic aromatic substitution reactions.

How is 2-Phenyl-1,3-benzoxazole (CAS: 833-50-1) typically synthesized?

2-Phenyl-1,3-benzoxazole can be synthesized via condensation of phenylglyoxal with phenol in the presence of an acid catalyst, such as sulfuric acid. Alternatively, it can be prepared by the reaction of phenylisoxazole with acetyl chloride. The yield is typically around 70-80%, and the process involves careful control of temperature and reaction time to achieve high product purity.

What industries use 2-Phenyl-1,3-benzoxazole (CAS: 833-50-1)?

2-Phenyl-1,3-benzoxazole is widely used in the pharmaceutical industry as a precursor for drug synthesis. It also finds applications in the polymer industry for the production of functional polymers, in the sensor industry for chemical sensing, and in semiconductor manufacturing for photolithography processes.

What precautions should be taken when handling 2-Phenyl-1,3-benzoxazole (CAS: 833-50-1)?

When handling 2-Phenyl-1,3-benzoxazole, it is important to wear appropriate 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 minimize inhalation risks. Spills should be cleaned up using appropriate absorbent materials and residues should be disposed of according to local hazardous waste regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information.