6-Bromo-1,2-benzoxazole

Basic Information

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CAS Number

1060802-88-1

Molecular Formula

C7H4BrNO

Molecular Weight

198.02 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

Boiling Point

276.1±13.0 ºC (760 Torr),

Flash Point

120.8±19.8 ºC,

SMILES

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Brc1ccc2cnoc2c1

InChI

InChI=1S/C7H4BrNO/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H

InChIKey

QHNORIBEFNHZMQ-UHFFFAOYSA-N

LogP

2.590300000000001

Topological Polar Surface Area

26.03 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

131

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

6-Bromo-1,2-benzisoxazole
6-bromo-1,2-benzoxazole
6-bromobenzo[d]isoxazole
FCH853203
AB25994
AB0034608
AX8168247
X8786
ST24029628

MDL Number

MFCD06659634

FAQ

What is 6-Bromo-1,2-benzoxazole (CAS: 1060802-88-1)?

6-Bromo-1,2-benzoxazole (CAS: 1060802-88-1) is a heterocyclic compound with the chemical formula C7H5BrNO. It is characterized by its aromatic ring structure containing a benzene ring and a pyrazole ring fused together. This compound exhibits properties such as moderate solubility in organic solvents and has a faint, characteristic odor.

What are the main uses of 6-Bromo-1,2-benzoxazole (CAS: 1060802-88-1)?

6-Bromo-1,2-benzoxazole is primarily used in the pharmaceutical industry as a precursor for the synthesis of various heterocyclic compounds and drugs. It is also utilized in organic synthesis for creating novel chemical entities and in materials science for developing new polymers and coatings.

Is 6-Bromo-1,2-benzoxazole (CAS: 1060802-88-1) safe?

While 6-Bromo-1,2-benzoxazole is generally considered safe for laboratory use under appropriate handling conditions, it is important to follow safety guidelines. It is corrosive to metals and can cause skin and eye irritation. Proper protective clothing, gloves, and safety goggles should be worn during handling. Work should be conducted in a well-ventilated area or under a fume hood.

How should 6-Bromo-1,2-benzoxazole (CAS: 1060802-88-1) be stored?

6-Bromo-1,2-benzoxazole should be stored in a cool, dry place away from direct sunlight and heat sources. It is advisable to keep it in a tightly sealed container to prevent moisture absorption and degradation. Store it at room temperature (15-25°C) and avoid contact with oxidizing agents or strong acids. Good ventilation is recommended to prevent the accumulation of flammable vapors.