Ethyl 4-bromobutanoate

Basic Information

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CAS Number

2969-81-5

Molecular Formula

C6H11BrO2

Molecular Weight

195.06 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

200°C

Refractive Index

n20/D 1.456(lit.)

SMILES

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CCOC(=O)CCCBr

InChI

InChI=1S/C6H11BrO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3

InChIKey

XBPOBCXHALHJFP-UHFFFAOYSA-N

LogP

1.7246

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

83.1

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 3 Class 3

Sensitiveness

Sensitive to light

Synonyms & References

English

NSC133462
ethyl-4-bromobutanoate
DTXSID80183845
F0001-0919
Butanoic acid, 4-bromo-, ethyl ester
AM84904
BP-12819
Ethyl 4-bromobutyrate, 95%
InChI=1/C6H11BrO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3
4-Bromobutyric Acid Ethyl Ester
Ethyl 4-bromobutanoate
BrCH2CH2CH2C(O)OC2H5
2969-81-5
4-BROMO-N-BUTYRIC ACID ETHYL ESTER
NSC-133462
ethyl4-bromobutyrate
ETHYL-4-BROMOBUTYRATE
ethyl-4-bromo-butyrate
AI3-36601
ethyl4-bromobutanoate
Ethyl gamma-bromobutyrate
Ethyl 4-bromobutanoate #
XBPOBCXHALHJFP-UHFFFAOYSA-
ethyl 4-bromo-n-butyrate
Ethyl .gamma.-bromobutyrate
4-bromobutanoate ethyl ester
CS-W020133
B-5800
MFCD00000259
EZ8TY5JSD5
SCHEMBL85568

MDL Number

MFCD00000259

Customs Code

2915900090

FAQ

What is Ethyl 4-bromobutanoate (CAS: 2969-81-5)?

Ethyl 4-bromobutanoate is an organic compound with the chemical formula C6H11BrO2. It is a brominated ester characterized by a butanoate backbone and an ethyl group. This compound is commonly used as an intermediate in organic synthesis due to its reactivity and versatility. It appears as a colorless liquid with a characteristic odor and is soluble in organic solvents.

What are the main uses of Ethyl 4-bromobutanoate (CAS: 2969-81-5)?

Ethyl 4-bromobutanoate is primarily used in pharmaceutical research and development as a building block for synthesizing various drugs. It also finds applications in the production of flavoring agents, pesticides, and specialty chemicals. In academic and industrial settings, it serves as a valuable reagent for creating more complex organic molecules, particularly in esterification and bromination reactions.

Is Ethyl 4-bromobutanoate (CAS: 2969-81-5) safe?

Ethyl 4-bromobutanoate is considered hazardous due to its potential to cause skin and eye irritation, as well as its toxicity if inhaled or ingested. It should be handled with appropriate personal protective equipment, including gloves, goggles, and a lab coat. Safety data sheets (SDS) recommend working in a well-ventilated area and following standard chemical safety protocols to minimize exposure risks.

How should Ethyl 4-bromobutanoate (CAS: 2969-81-5) be stored?

Ethyl 4-bromobutanoate should be stored in a cool, dry, and well-ventilated place, away from direct sunlight. It is best kept in a tightly sealed container made of glass or high-density polyethylene (HDPE) to prevent contamination and evaporation. Storage at temperatures below 25°C and in a low humidity environment is recommended to ensure stability and prolong shelf life.