Methyl 7-bromoheptanoate

Basic Information

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CAS Number

54049-24-0

Molecular Formula

C8H15BrO2

Molecular Weight

223.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Boiling Point

229.2℃ at 760 mmHg

Density

1.257

SMILES

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COC(=O)CCCCCCBr

InChI

InChI=1S/C8H15BrO2/c1-11-8(10)6-4-2-3-5-7-9/h2-7H2,1H3

InChIKey

BXRLUWIDTDLHQE-UHFFFAOYSA-N

LogP

2.5048000000000004

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

104

Synonyms & References

English

methyl-7-bromoheptanoate
7-Bromoheptanoic acid methyl ester
J-522575
SCHEMBL1365242
DTXSID00339145
54049-24-0
A870559
CS-W004688
Methyl 7-bromoheptanoate
Methyl 7-bromoheptanoate #
GS-4223
FT-0647433
Heptanoic acid, 7-bromo-, methyl ester
F11980
SY030923
AKOS015900229
MFCD02258672
BXRLUWIDTDLHQE-UHFFFAOYSA-N
FC0864
RP27448
ST2413489
AX8139284
W6840
049M240

MDL Number

MFCD02258672

Customs Code

2915900090

FAQ

What are the physical and chemical properties of Methyl 7-bromoheptanoate (CAS: 54049-24-0)?

Methyl 7-bromoheptanoate (CAS: 54049-24-0) is a crystalline solid with a molecular weight of approximately 248.03 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. This compound exhibits high reactivity due to the presence of the bromine atom, which can undergo nucleophilic substitution reactions. It is also prone to hydrolysis and can react with bases to form the corresponding carboxylate salt.

How is Methyl 7-bromoheptanoate (CAS: 54049-24-0) typically synthesized?

Methyl 7-bromoheptanoate (CAS: 54049-24-0) is typically synthesized through bromination of heptanoic acid using N-bromosuccinimide (NBS) as a brominating agent. The reaction is usually carried out in the presence of a peroxide initiator like benzoyl peroxide to increase the yield. This method provides good regioselectivity and high purity of the product.

What industries use Methyl 7-bromoheptanoate (CAS: 54049-24-0)?

Methyl 7-bromoheptanoate (CAS: 54049-24-0) is used in the pharmaceutical industry for the synthesis of certain biologically active compounds. It also finds applications in the polymer industry as a monomer or for modifying the properties of polymers. Additionally, it is used in the sensor technology and semiconductor industries for its reactivity with various nucleophiles and its ability to form stable complexes.

What precautions should be taken when handling Methyl 7-bromoheptanoate (CAS: 54049-24-0)?

Handling Methyl 7-bromoheptanoate (CAS: 54049-24-0) requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood due to its volatility and potential reactivity. In case of a spill, it should be immediately contained and cleaned up using appropriate absorbent materials. The safety data sheet (SDS) should be consulted for detailed handling guidelines and emergency procedures.