4-Bromo-1-ethynyl-2-fluorobenzene

Basic Information

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CAS Number

302912-33-0

Molecular Formula

C8H4BrF

Molecular Weight

189.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

54-59 °C

Flash Point

110 °C

SMILES

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C#CC1=C(C=C(C=C1)Br)F

InChI

InChI=1S/C8H4BrF/c1-2-6-3-4-7(9)5-8(6)10/h1,3-5H

InChIKey

ZSZIITDRDIHDAY-UHFFFAOYSA-N

LogP

2.8966200000000013

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

158

Synonyms & References

English

DTXSID20393325
ZSZIITDRDIHDAY-UHFFFAOYSA-N
MFCD02683523
AKOS006240689
4-bromo-1-ethynyl-2-fluoro-benzene
FT-0692416
A18601
302912-33-0
4-bromo-1-ethynyl-2-fluorobenzene
4-BROMO-1-ETHYNYL-2-FLUOROBENZENE96
CS-0308410
4-Bromo-1-ethynyl-2-fluorobenzene 96
A1-16249
PS-8233
SCHEMBL3433348
Benzene, 4-bromo-1-ethynyl-2-fluoro-
4-Bromo-2-fluorophenylacetylene
EN300-119133
AT36265
4-Bromo-1-ethynyl-2-fluorobenzene
Benzene,4-bromo-1-ethynyl-2-fluoro-
Benzene,4-bromo-1-ethynyl-2-fluoro

MDL Number

MFCD02683523

FAQ

What are the physical and chemical properties of 4-Bromo-1-ethynyl-2-fluorobenzene (CAS: 302912-33-0)?

4-Bromo-1-ethynyl-2-fluorobenzene (CAS: 302912-33-0) is a crystalline solid with a molecular weight of approximately 243.01 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. The compound is known for its reactivity, particularly due to the bromine and ethynyl groups, which can participate in various chemical reactions such as electrophilic aromatic substitution and addition reactions.

How is 4-Bromo-1-ethynyl-2-fluorobenzene (CAS: 302912-33-0) typically synthesized?

4-Bromo-1-ethynyl-2-fluorobenzene (CAS: 302912-33-0) is typically synthesized via a multistep process involving halogenation and alkyne coupling. Commonly, a bromination step is followed by a reaction with an ethynyl halide, such as ethynyl bromide, in the presence of a metal catalyst like copper iodide. The yield and selectivity of the reaction can be optimized using appropriate solvents and reaction conditions.

What industries use 4-Bromo-1-ethynyl-2-fluorobenzene (CAS: 302912-33-0)?

4-Bromo-1-ethynyl-2-fluorobenzene (CAS: 302912-33-0) finds applications in the pharmaceutical and polymer industries. It serves as a key intermediate in the synthesis of various drugs and can also be used in the production of novel polymers with specific functional properties. Additionally, it has potential uses in the development of sensors and semiconductors due to its unique chemical structure.

What precautions should be taken when handling 4-Bromo-1-ethynyl-2-fluorobenzene (CAS: 302912-33-0)?

When handling 4-Bromo-1-ethynyl-2-fluorobenzene (CAS: 302912-33-0), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Work should be carried out in a well-ventilated area or a fume hood to minimize exposure to fumes. Spills should be cleaned up immediately using appropriate absorbents and followed by rinsing the area with water. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.