6-(Bromomethyl)-1,3-benzoxazole

Basic Information

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CAS Number

181040-42-6

Molecular Formula

C8H6BrNO

Molecular Weight

212.05 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=CC2=C(C=C1CBr)OC=N2

InChI

InChI=1S/C8H6BrNO/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,5H,4H2

InChIKey

KVHCMIKTRDUASP-UHFFFAOYSA-N

LogP

2.7227000000000015

Topological Polar Surface Area

26.03 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Synonyms & References

English

6-(Bromomethyl)benzo[d]oxazole
6-(bromomethyl)-1,3-benzoxazole
Benzoxazole, 6-(broMoMethyl)-

MDL Number

MFCD16036445

FAQ

What regulatory guidelines apply to 6-(Bromomethyl)-1,3-benzoxazole (CAS: 181040-42-6)?

6-(Bromomethyl)-1,3-benzoxazole (CAS: 181040-42-6) should comply with the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations for substances and mixtures, and FDA and EPA requirements for chemical substances used in pharmaceuticals and pesticides.

Are there alternatives to 6-(Bromomethyl)-1,3-benzoxazole (CAS: 181040-42-6) in synthesis?

Synthesizers may consider using bromomethylbenzoxazoles with different substituents as alternatives. Common alternatives include 4-(bromomethyl)-1,3-benzoxazole and 3-(bromomethyl)-1,3-benzoxazole, which can serve similar functions in chemical reactions.

What is the market or research trend for 6-(Bromomethyl)-1,3-benzoxazole (CAS: 181040-42-6)?

The market and research trends for 6-(Bromomethyl)-1,3-benzoxazole (CAS: 181040-42-6) are focused on its applications in pharmaceuticals, specifically as intermediates in the synthesis of novel drugs. There is also growing interest in its use in agrochemicals for pest control.

How should waste containing 6-(Bromomethyl)-1,3-benzoxazole (CAS: 181040-42-6) be handled?

Waste containing 6-(Bromomethyl)-1,3-benzoxazole (CAS: 181040-42-6) should be collected in appropriate containers and disposed of via incineration or professional chemical waste disposal services. Strict environmental protection precautions must be taken to prevent contamination during handling and disposal.