2,5-Dimethyl-1,3-benzoxazole

Basic Information

View in Editor

CAS Number

5676-58-4

Molecular Formula

C9H9NO

Molecular Weight

147.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

215°C

Flash Point

91 ºC

Refractive Index

1.5425-1.5445

SMILES

View in Editor

CC1=CC2=C(C=C1)OC(=N2)C

InChI

InChI=1S/C9H9NO/c1-6-3-4-9-8(5-6)10-7(2)11-9/h3-5H,1-2H3

InChIKey

XVQGFGKAPKEUFT-UHFFFAOYSA-N

LogP

2.4446400000000006

Topological Polar Surface Area

26.03 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

149

Safety Information

View Safety Information

Hazard Statement

H227 Combustible liquid
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

NS00033576
DTXSID7063974
2,5-dimethyl-benzoxazole
AKOS015900611
CS-W018210
2,5-Dimethyl Benzoxazole
EINECS 227-136-5
Benzoxazole,5-dimethyl-
SCHEMBL903255
2,5-Dimethyl-1,3-benzoxazole #
NSC93785
518Y7AS4WL
2,5-Dimethylbenzoxazole
InChI=1/C9H9NO/c1-6-3-4-9-8(5-6)10-7(2)11-9/h3-5H,1-2H
FT-0635802
SY018752
AC-4804
2,5-Dimethylbenzo[d]oxazole
D3461
W-105503
NSC-93785
2,5-dimethyl-1,3-benzoxazole;2,5-Dimethylbenzoxazole
MFCD00005773
BENZOXAZOLE, 2,5-DIMETHYL-
UNII-518Y7AS4WL
NSC 93785
2,5-Dimethyl-1,3-benzoxazole
5676-58-4
A831166
DS-18248
F14942

MDL Number

MFCD00005773

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 2,5-Dimethyl-1,3-benzoxazole (CAS: 5676-58-4)?

2,5-Dimethyl-1,3-benzoxazole (CAS: 5676-58-4) is a white to off-white crystalline solid with a molecular weight of approximately 154.23 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. This compound is moderately reactive, especially under basic conditions. It has a melting point of about 153-155°C and a boiling point of around 315°C. It is a useful intermediate in various chemical syntheses and has low toxicity compared to many other organic compounds.

How is 2,5-Dimethyl-1,3-benzoxazole (CAS: 5676-58-4) typically synthesized?

2,5-Dimethyl-1,3-benzoxazole (CAS: 5676-58-4) is commonly synthesized via the condensation of 2,5-dimethylbenzaldehyde with hydroxylamine hydrochloride. The reaction typically involves refluxing the mixture in an appropriate solvent such as ethanol or acetic acid. The yield is usually around 70-80%, and the use of a basic catalyst like sodium hydroxide can enhance the reaction efficiency. The product can be isolated by recrystallization from a suitable solvent.

What industries use 2,5-Dimethyl-1,3-benzoxazole (CAS: 5676-58-4)?

2,5-Dimethyl-1,3-benzoxazole (CAS: 5676-58-4) finds applications in various industries. It is used as an intermediate in the synthesis of dyes, pharmaceuticals, and as a component in polymer formulations. Additionally, it is employed in the development of sensors and electronic devices due to its unique chemical properties. Its use in semiconductors is also notable, where it serves as a dopant or modifier.

What precautions should be taken when handling 2,5-Dimethyl-1,3-benzoxazole (CAS: 5676-58-4)?

When handling 2,5-Dimethyl-1,3-benzoxazole (CAS: 5676-58-4), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be contained and handled according to standard procedures, and the Material Safety Data Sheet (MSDS/SDS) should be readily available for reference. Although it is generally safe, it is still important to follow all safety guidelines to prevent accidents and ensure a safe working environment.