7-Bromo-1-heptyne

Basic Information

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CAS Number

81216-14-0

Molecular Formula

C7H11Br

Molecular Weight

165.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

SMILES

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BrCCCCCC#C

InChI

InChI=1S/C7H11Br/c1-2-3-4-5-6-7-8/h1H,3-7H2

InChIKey

SCHBMYWHADQVBE-UHFFFAOYSA-N

LogP

2.9616000000000016

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Synonyms & References

English

7-bromohept-1-yne

MDL Number

MFCD20343079

FAQ

What are the physical and chemical properties of 7-Bromo-1-heptyne (CAS: 81216-14-0)?

7-Bromo-1-heptyne (CAS: 81216-14-0) is a colorless to white crystalline solid. The molecular weight is approximately 168.9 g/mol. It has a low solubility in water but is soluble in organic solvents. This compound is highly reactive due to the presence of the alkyne group and the bromine atom, making it useful in organic synthesis.

How is 7-Bromo-1-heptyne (CAS: 81216-14-0) typically synthesized?

7-Bromo-1-heptyne (CAS: 81216-14-0) is typically synthesized via the bromination of 1-heptyne using NBS (N-Bromosuccinimide) in an organic solvent like dichloromethane. The reaction is carried out under light or UV radiation to enhance the bromination process. The yield can be improved by using a catalyst and optimizing reaction conditions.

What industries use 7-Bromo-1-heptyne (CAS: 81216-14-0)?

7-Bromo-1-heptyne (CAS: 81216-14-0) is primarily used in the pharmaceutical industry for the synthesis of various drugs, particularly those that require functional groups for further modification. It is also used in the polymer industry to modify polymer chains and in the development of sensors and semiconductors for their unique reactivity.

What precautions should be taken when handling 7-Bromo-1-heptyne (CAS: 81216-14-0)?

When handling 7-Bromo-1-heptyne (CAS: 81216-14-0), safety precautions include the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a fume hood to minimize exposure. Spills should be handled by trained personnel, and the material safety data sheet (MSDS) should be consulted for detailed procedures. This compound is flammable and reactive, so proper storage in a cool, dry place away from sources of ignition is essential.