2-Bromooctane

Basic Information

View in Editor

CAS Number

557-35-7

Molecular Formula

C8H17Br

Molecular Weight

193.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Boiling Point

191°C

Flash Point

65 ºC

Refractive Index

1.449

SMILES

View in Editor

CCCCCCC(C)Br

InChI

InChI=1S/C8H17Br/c1-3-4-5-6-7-8(2)9/h8H,3-7H2,1-2H3

InChIKey

FTJHYGJLHCGQHQ-UHFFFAOYSA-N

LogP

3.7402000000000024

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

52.5

Safety Information

View Safety Information

Hazard Statement

H227 Combustible liquid
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Stability

Stable, but may be light sensitive. Incompatible with strong oxidizing agents. Combustible.

Synonyms & References

English

EINECS 209-171-8
CS-0182749
Octane, 2-bromo-
AKOS009156594
MFCD00040823
Octane, 2-bromo-, (.+/-.)-
DTXSID90880631
F21283
sec-Octyl bromide (VAN)
InChI=1/C8H17Br/c1-3-4-5-6-7-8(2)9/h8H,3-7H2,1-2H
NSC8060
2-Bromoooctane
SY053213
J-508531
A830778
2-bromo-octane
(+/-)-2-BROMOOCTANE
K51199TJ7S
(+/-)-sec-octyl bromide
SEC-OCTYL BROMIDE, (+/-)-
AS-13085
1-bromoethylhexane
sec-Octyl bromide
SCHEMBL598655
FT-0611588
1-Methylheptyl bromide
2-bromo OCTANE
557-35-7
UNII-K51199TJ7S
NSC-8060
NS00043679

MDL Number

MFCD00040823

FAQ

What are the physical and chemical properties of 2-Bromooctane (CAS: 557-35-7)?

2-Bromooctane (CAS: 557-35-7) is a colorless liquid with a boiling point of 132.9°C and a density of 1.105 g/cm³. Its molecular weight is 191.02 g/mol. This compound is slightly soluble in water but miscible with common organic solvents. Chemically, it is less reactive compared to simpler bromoalkanes, making it useful for specific synthesis routes. It decomposes above 200°C, and it is slightly toxic and corrosive.

How is 2-Bromooctane (CAS: 557-35-7) typically synthesized?

2-Bromooctane (CAS: 557-35-7) is typically synthesized via the reaction of octane with bromine in the presence of a Lewis acid catalyst, such as aluminum bromide. This process involves bromination of each carbon of the octane molecule, and the product is a mixture of various bromoalkanes. The reaction is carried out under reflux conditions and requires careful temperature control to achieve high selectivity and yield.

What industries use 2-Bromooctane (CAS: 557-35-7)?

2-Bromooctane (CAS: 557-35-7) is primarily used in the pharmaceutical industry as a precursor for the synthesis of certain drugs. It also finds applications in the polymer industry, where it can be used as a comonomer or initiator. Additionally, it is utilized in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 2-Bromooctane (CAS: 557-35-7)?

When handling 2-Bromooctane (CAS: 557-35-7), it is crucial to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Ensure the use of a fume hood to avoid exposure to vapors. Proper storage should be in a well-ventilated area away from incompatible materials. In case of a spill, immediately clean up with absorbent material and dispose of according to local regulations. Always consult the safety data sheet (SDS) for detailed information and emergency procedures.