3-(4-Bromophenyl)-2-propyn-1-ol

Basic Information

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CAS Number

37614-58-7

Molecular Formula

C9H7BrO

Molecular Weight

46.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1=CC(=CC=C1C#CCO)Br

InChI

InChI=1S/C9H7BrO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,7H2

InChIKey

XXVUZDYGEDBOHT-UHFFFAOYSA-N

LogP

-0.0014000000000000679

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

169

Synonyms & References

English

3-(4-bromophenyl)-prop-2-yn-1-ol
3-(4-bromophenyl)-2-propynol
MFCD01250510
A50682
XXVUZDYGEDBOHT-UHFFFAOYSA-N
3-(4-bromophenyl)-2-propyn-1-ol
FT-0709576
AKOS004117940
SY283701
3-(4-Bromo-phenyl)-prop-2-yn-1-ol
1-(4-bromophenyl)-1-propyne-3-ol
37614-58-7
3-(4-bromophenyl)-2-propyne-1-ol
EN300-330041
CS-0131523
DTXSID00398757
2-Propyn-1-ol,3-(4-bromophenyl)-
3-(4-bromophenyl)prop-2-yn-1-ol
SCHEMBL81530
3-(4-BROMO-PHENYL)-PROP-2-YN-1-OL
3-(4-Bromophenyl)prop-2-yn-1-ol
1-(4-Bromophenyl)prop-1-yne-3-ol
3-(4-bromophenyl)propargyl alcohol
AC1N2KJN
CTK4H8500
SureCN81530

MDL Number

MFCD01250510

Customs Code

2906299090

FAQ

What are the physical and chemical properties of 3-(4-Bromophenyl)-2-propyn-1-ol (CAS: 37614-58-7)?

3-(4-Bromophenyl)-2-propyn-1-ol (CAS: 37614-58-7) is a crystalline solid with a molecular weight of approximately 227.02 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. The compound is reactive, particularly with halides and can undergo electrophilic aromatic substitution reactions. Its melting point is around 60-62°C, and it boils at approximately 180-182°C. It is not flammable but is sensitive to moisture and air oxidation.

How is 3-(4-Bromophenyl)-2-propyn-1-ol (CAS: 37614-58-7) typically synthesized?

3-(4-Bromophenyl)-2-propyn-1-ol can be synthesized by reacting 4-bromophenol with acetylene in the presence of a palladium catalyst. The reaction is typically performed under inert conditions, such as argon, at temperatures around 100°C. The yield is generally good, up to 85%, and the selectivity towards the desired product is high. This method ensures a pure product with minimal side reactions.

What industries use 3-(4-Bromophenyl)-2-propyn-1-ol (CAS: 37614-58-7)?

3-(4-Bromophenyl)-2-propyn-1-ol (CAS: 37614-58-7) is primarily used in the pharmaceutical and polymer industries. It serves as a building block for synthesizing more complex molecules. In the pharmaceutical sector, it is used in the development of new drugs, particularly those requiring aromatic functionalities. In the polymer industry, it can be used as a monomer for creating functional polymers with specific properties.

What precautions should be taken when handling 3-(4-Bromophenyl)-2-propyn-1-ol (CAS: 37614-58-7)?

When handling 3-(4-Bromophenyl)-2-propyn-1-ol (CAS: 37614-58-7), it is important to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials and proper disposal procedures. It is crucial to have a Safety Data Sheet (SDS) on hand for reference and follow all laboratory safety guidelines.