Ethyl 6-Bromohexanoate

Basic Information

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CAS Number

25542-62-5

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

Melting Point

33°C

Boiling Point

130°C/19mmHg

Water Solubility

Soluble in water (water, 64.76 mg/L @ 25°C (est.)).

Refractive Index

n20/D 1.458(lit.)

SMILES

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CCOC(=O)CCCCCBr

InChI

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

InChIKey

DXBULVYHTICWKT-UHFFFAOYSA-N

LogP

2.5048000000000004

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

104

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 3 Class 3

Synonyms & References

English

AMY18076
B1465
ethyl 6- bromohexanoate
W-107233
AKOS015915269
SCHEMBL47126
CS-W022710
Hexanoic acid, 6-bromo-, ethyl ester
A23900
Ethyl 6-bromocapronate
25542-62-5
ethyl 6bromohexanoate
MFCD00000270
Ethyl 6-bromohexanoate, 99%
AI3-36603
BP-31061
ethyl 6-bromo-hexanoate
InChI=1/C8H15BrO2/c1-2-11-8(10)6-4-3-5-7-9/h2-7H2,1H3
Ethyl-6-bromohexanoate
EN300-75633
DXBULVYHTICWKT-UHFFFAOYSA-
6-Bromohexanoic acid, ethyl ester
NS00027912
ethyl-6-bromo-hexanoate
Ethyl 6-Bromocaproate
epsilon-Bromo-caproic acid, ethyl ester
STR06878
FT-0620996
Ethyl .omega.-bromocaproate
Ethyl 6-bromohexanoate
4VRN6V4YXD

MDL Number

MFCD00000270

Customs Code

2915900090

FAQ

What is Ethyl 6-Bromohexanoate (CAS: 25542-62-5)?

Ethyl 6-Bromohexanoate is an organic compound with the chemical formula C8H15BrO2. It is a brominated ester derived from hexanoic acid and ethanol. This compound is typically a colorless liquid with a mild odor and is known for its stability under normal conditions. It is widely used in chemical synthesis due to its reactivity and functional group versatility.

What are the main uses of Ethyl 6-Bromohexanoate (CAS: 25542-62-5)?

Ethyl 6-Bromohexanoate is primarily used in pharmaceutical research as an intermediate in the synthesis of various drugs. It also finds applications in the production of specialty chemicals, fragrances, and polymers. Additionally, it is utilized in organic chemistry for esterification reactions and as a source of the bromo group in synthetic pathways.

Is Ethyl 6-Bromohexanoate (CAS: 25542-62-5) safe?

Ethyl 6-Bromohexanoate is generally considered safe when handled properly, but it should be treated with caution. It may cause skin and eye irritation, and its vapors can be harmful if inhaled. Safety data sheets recommend using appropriate personal protective equipment (PPE) and ensuring good ventilation. It is classified as a hazardous substance under certain regulations and should be stored and handled according to safety guidelines.

How should Ethyl 6-Bromohexanoate (CAS: 25542-62-5) be stored?

Ethyl 6-Bromohexanoate should be stored in a cool, dry, and well-ventilated area away from direct sunlight. It is best kept in a sealed container at a temperature below 25°C and in low humidity conditions. Avoid exposure to air and moisture to maintain its stability and prevent degradation. Always store it in a fume hood or ventilated space to minimize inhalation risks.