2-(Bromomethyl)-1,3-benzoxazole

Basic Information

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CAS Number

73101-74-3

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=CC=C2C(=C1)N=C(O2)CBr

InChI

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

InChIKey

VVKQNCHUKOHTDO-UHFFFAOYSA-N

LogP

2.7227000000000006

Topological Polar Surface Area

26.03 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

142

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

2-(Bromomethyl)benzo[d]oxazole
A866147
MFCD11856915
CS-0169044
AS-30817
2-(BROMOMETHYL)-1,3-BENZOXAZOLE
AKOS016000211
2-BROMOMETHYLBENZOXAZOLE
2-bromomethyl-benzooxazole
SCHEMBL1500763
73101-74-3
Benzoxazole, 2-(bromomethyl)-
FT-0763282
VVKQNCHUKOHTDO-UHFFFAOYSA-N
DTXSID50508743
2-(Bromomethyl)-1,3-benzoxazole
2-bromomethylbenzoxazole
Benzoxazole,2-(bromomethyl)-
Benzoxazole,2-(bromomethyl)
bromomethylbenzoxazole
2-(Bromomethyl)benzoxazole
2-(Bromomethyl);benzo[d]oxazole
WT81973
AB0052103
ST24027613
Z5077

MDL Number

MFCD11856915

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 2-(Bromomethyl)-1,3-benzoxazole (CAS: 73101-74-3)?

2-(Bromomethyl)-1,3-benzoxazole is a white crystalline solid with a molecular weight of approximately 244.03 g/mol. It is sparingly soluble in water but soluble in organic solvents like ethanol and acetone. Chemically, it is moderately reactive towards nucleophiles due to the presence of the bromomethyl group.

How is 2-(Bromomethyl)-1,3-benzoxazole (CAS: 73101-74-3) typically synthesized?

2-(Bromomethyl)-1,3-benzoxazole can be synthesized via a bromination reaction of 1,3-benzoxazole with bromine in the presence of a suitable solvent such as chloroform. The yield is typically around 70-80%, and the reaction mechanism involves electrophilic aromatic substitution followed by nucleophilic substitution at the methyl group.

What industries use 2-(Bromomethyl)-1,3-benzoxazole (CAS: 73101-74-3)?

2-(Bromomethyl)-1,3-benzoxazole is used in the pharmaceutical industry for the synthesis of certain drug intermediates. It also finds applications in the polymer industry as a monomer in the development of new materials with specific properties. Additionally, it is utilized in sensor technology for its ability to respond to specific chemical stimuli.

What precautions should be taken when handling 2-(Bromomethyl)-1,3-benzoxazole (CAS: 73101-74-3)?

When handling 2-(Bromomethyl)-1,3-benzoxazole, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be properly decontaminated. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.