structure of 2-(Bromomethyl)-2-butylhexanoic acid

2-(Bromomethyl)-2-butylhexanoic acid

CAS No.: 100048-86-0
M. Wt: 265.187
M. Fa: C11H21BrO2
InChI Key: OBRLODQYQTZCSP-UHFFFAOYSA-N
Appearance: White Solid

Names and Identifiers of 2-(Bromomethyl)-2-butylhexanoic acid

CAS Number

100048-86-0

MDL Number

MFCD18206921

IUPAC Name

2-(bromomethyl)-2-butylhexanoic acid

InChI

InChI=1S/C11H21BrO2/c1-3-5-7-11(9-12,10(13)14)8-6-4-2/h3-9H2,1-2H3,(H,13,14)

InChIKey

OBRLODQYQTZCSP-UHFFFAOYSA-N

Canonical SMILES

CCCCC(CCCC)(CBr)C(=O)O

UNSPSC Code

12352100

Physical and chemical properties of 2-(Bromomethyl)-2-butylhexanoic acid

Acidity coefficient

4.05±0.50(Predicted)

Boiling Point

324.3±25.0 °C at 760 mmHg

Density

1.2±0.1 g/cm3

Exact Mass

264.072479

Flash Point

149.9±23.2 °C

Index of Refraction

1.483

LogP

4.58

Molecular Formula

C11H21BrO2

Molecular Weight

265.187

PSA

37.30000

Storage condition

Inert atmosphere,Room Temperature

Vapour Pressure

0.0±1.5 mmHg at 25°C

Safety Information of 2-(Bromomethyl)-2-butylhexanoic acid

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 2-(Bromomethyl)-2-butylhexanoic acid

2-(Bromomethyl)-2-butylhexanoic acid has various applications, including:

  • Organic Synthesis: Serves as an intermediate in the production of more complex organic molecules.
  • Medicinal Chemistry: Potential precursor for pharmaceutical compounds due to its ability to form various derivatives.
  • Material Science: Utilized in the preparation of specialty chemicals and polymers with tailored properties.
  • Biological Studies: Investigated for its reactivity and interactions with biological systems.

Biological Activity of 2-(Bromomethyl)-2-butylhexanoic acid

While specific biological activity data on 2-(Bromomethyl)-2-butylhexanoic acid is limited, compounds with similar structures are often investigated for their potential pharmaceutical applications. The reactivity of the bromomethyl group suggests possible interactions with biological molecules, making it a candidate for further research in medicinal chemistry and biochemical studies.

Physical sample testing spectrum (NMR) of 2-(Bromomethyl)-2-butylhexanoic acid

Physical sample testing spectrum (NMR) of 2-(Bromomethyl)-2-butylhexanoic acid