2-(3-Bromophenyl)-1,3-benzoxazole

Basic Information

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CAS Number

99586-31-9

Molecular Formula

C13H8BrNO

Molecular Weight

274.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1=CC=C2C(=C1)N=C(O2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C13H8BrNO/c14-10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H

InChIKey

KHEXVASQRAJENK-UHFFFAOYSA-N

LogP

4.257300000000002

Topological Polar Surface Area

26.03 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

248

Synonyms & References

English

KHEXVASQRAJENK-UHFFFAOYSA-N
CS-0155912
2-(3-Bromo-phenyl)-benzooxazole
99586-31-9
DTXSID401309372
AKOS002231537
F18752
CHEMBL398927
BS-36512
2-(3-Bromophenyl)-1,3-benzoxazole, AldrichCPR
2-(3-bromophenyl)benzo[d]oxazole
NCGC00327363-01
2-(3-bromophenyl)-1,3-benzoxazole
SCHEMBL751653
MFCD01565105
AB01322225-02
CHEMBRDG-BB 4010237
Cambridge id 5804199
2-(3-bromophenyl)benzoxazole
2-(3-Bromophenyl)benzo[d]oxazole

MDL Number

MFCD01565105

Customs Code

2934999090

FAQ

What is 2-(3-Bromophenyl)-1,3-benzoxazole (CAS: 99586-31-9)?

2-(3-Bromophenyl)-1,3-benzoxazole (CAS: 99586-31-9) is an organic compound with the molecular formula C11H9BrNO. It is a white or off-white crystalline solid with a pungent odor. It is characterized by its aromatic structure, which makes it useful in various applications.

What are the main uses of 2-(3-Bromophenyl)-1,3-benzoxazole (CAS: 99586-31-9)?

2-(3-Bromophenyl)-1,3-benzoxazole (CAS: 99586-31-9) is primarily used in the synthesis of pharmaceuticals, dyes, and other organic compounds. It is also utilized in research for its unique chemical properties.

Is 2-(3-Bromophenyl)-1,3-benzoxazole (CAS: 99586-31-9) safe?

2-(3-Bromophenyl)-1,3-benzoxazole (CAS: 99586-31-9) is generally considered safe when handled properly. However, it is important to follow safety guidelines, such as wearing appropriate personal protective equipment, and storing it in a secure, well-ventilated area away from heat sources and direct sunlight.

How should 2-(3-Bromophenyl)-1,3-benzoxazole (CAS: 99586-31-9) be stored?

2-(3-Bromophenyl)-1,3-benzoxazole (CAS: 99586-31-9) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly closed container to prevent exposure to air and moisture. Storage at temperatures below 25°C is recommended to maintain its stability and purity.