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1-Bromo-2-ethynylbenzene(CAS: 766-46-1)

1-Bromo-2-ethynylbenzene
CAS Number

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Basic Information

Molecular Formula
C8H5Br
Molecular Weight
171.04 g/mol
Physical State
Pale-yellow to Yellow-brown Liquid

Physical Properties

Boiling Point
94°C/20mmHg(lit.)
Density
1.443 g/mL at 25 °C(lit.)

Chemical Identifiers

SMILES
C#CC1=CC=CC=C1Br
InChIKey
RVDOYUFNRDGYGU-UHFFFAOYSA-N

Database References

MDL Number
MFCD01863358

FAQ

1-Bromo-2-ethynylbenzene is a crystalline solid with a molecular weight of approximately 175.01 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. It is moderately reactive, especially towards nucleophiles and reducing agents. The compound can undergo electrophilic aromatic substitution and addition reactions.
1-Bromo-2-ethynylbenzene can be synthesized through the reaction of bromine and ethynylbenzene under mild conditions. The synthesis involves the electrophilic aromatic substitution of bromine into the ethynyl group. Common methods include the use of iron as a catalyst to promote the reaction at room temperature with high yield and good selectivity.
1-Bromo-2-ethynylbenzene is primarily used in the pharmaceutical, polymer, and sensor industries. It serves as a precursor for the synthesis of various pharmaceuticals, contributes to the development of functional polymers, and is used in the fabrication of chemical sensors due to its unique reactivity and structural features.
When handling 1-Bromo-2-ethynylbenzene, it is crucial to use 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 to vapors. Spills should be immediately cleaned up using appropriate absorbents, and the area should be well-ventilated. Refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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