1,3-Benzoxazole

Basic Information

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CAS Number

273-53-0

Molecular Formula

C7H5NO

Molecular Weight

119.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

27-30 °C

Boiling Point

183°C

Refractive Index

1.5594

SMILES

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C1=CC=C2C(=C1)N=CO2

InChI

InChI=1S/C7H5NO/c1-2-4-7-6(3-1)8-5-9-7/h1-5H

InChIKey

BCMCBBGGLRIHSE-UHFFFAOYSA-N

LogP

1.8277999999999999

Topological Polar Surface Area

26.03 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

105

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 4.1 Class 4.1

Synonyms & References

English

MFCD00005765
WLN: T56 BN DOJ
Benzooxazole
EINECS 205-988-9
Benzoxazole, 98%
1,3-Benzoxazole #
CS-W004722
H10149
J-016748
A3423
EN300-20396
NSC3982
NS00028287
273-53-0
1-Oxa-3-aza-1H-indene
PS-3680
NSC-3982
AKOS000119993
DTXSID8059768
NSC 3982
CHEMBL451894
B0095
BENZOXAZOLE
J233Y1I55I
Q761111
USAF EK-5017
1-Oxa-3-azaindene
5-BROMO-4-CHLORO-3-INDOLYLB-D-
Benzoxazoles
UNII-J233Y1I55I
BENZO[D]OXAZOLE

MDL Number

MFCD00005765

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 1,3-Benzoxazole (CAS: 273-53-0)?

1,3-Benzoxazole (CAS: 273-53-0) is a crystalline solid with a molecular weight of approximately 123.14 g/mol. It is slightly soluble in water but more soluble in organic solvents such as ethanol and acetone. Chemically, it is a stable compound with a moderate basicity due to the oxazole ring. It exhibits good thermal stability and is known for its reactivity towards electrophiles and nucleophiles, particularly in the presence of amines and carboxylic acids.

How is 1,3-Benzoxazole (CAS: 273-53-0) typically synthesized?

1,3-Benzoxazole can be synthesized via the reaction of benzoyl chloride with hydrazine or its derivatives. A common method involves the condensation of benzoyl chloride with hydrazine hydrate in the presence of a catalyst like p-toluenesulfonic acid. This process yields the 1,3-benzoxazole in good yield, and the method is known for its simplicity and reproducibility.

What industries use 1,3-Benzoxazole (CAS: 273-53-0)?

1,3-Benzoxazole (CAS: 273-53-0) is widely used in various industries. It is a key building block in pharmaceuticals, where it serves as a precursor for drug synthesis. In the polymer industry, it is used in the development of high-performance polymers. It also finds applications in sensors due to its chemical sensing properties and in semiconductors for its electronic properties.

What precautions should be taken when handling 1,3-Benzoxazole (CAS: 273-53-0)?

When handling 1,3-Benzoxazole (CAS: 273-53-0), it is crucial to use appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats. Ensure the work is conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up carefully using appropriate absorbents. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions to ensure proper safety and compliance with regulations.