Ethyl 2-bromobutanoate

Basic Information

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CAS Number

533-68-6

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

Melting Point

-4°C

Boiling Point

177 °C

Water Solubility

Insoluble in water. Miscible with alcohol and ether

Refractive Index

n20/D 1.447(lit.)

SMILES

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CCC(C(=O)OCC)Br

InChI

InChI=1S/C6H11BrO2/c1-3-5(7)6(8)9-4-2/h5H,3-4H2,1-2H3

InChIKey

XIMFCGSNSKXPBO-UHFFFAOYSA-N

LogP

1.723

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

93.1

Safety Information

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GHS Hazard Pictograms

H226

H302

H315

H318

H335

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
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

Light Sensitive

Synonyms & References

English

Ethyl (R)-2-Bromobutanoate
CS-W010634
bromo-butyric acid ethyl ester
Q27289120
F2190-0280
AKOS017278407
Butyric acid, 2-bromo-, ethyl ester
ethyl bromobutanoate
D70575
EINECS 208-574-6
bromobutyric acid ethyl ester
ethyl-2-bromobutyrate
NSC-8855
DTXSID30870591
AKOS000121219
MFCD20623423
Ethyl 2-bromobutyrate
.alpha.-Bromo-n-butyric acid ethyl ester
Ethyl (S)-2-bromobutanoate
2-Bromobutanoic acid ethyl ester
NS00042979
DL-Ethyl 2-bromobutyrate
EC 208-574-6
FT-0626264
Ethyl alpha-bromobutyrate
Ethyl .alpha.-bromobutyrate
ethyl bromobutyrate
SY344659
Ethyl2-bromobutanoate
SCHEMBL189345
B0800

MDL Number

MFCD00000155

Customs Code

2915600000

FAQ

What is Ethyl 2-bromobutanoate (CAS: 533-68-6)?

Ethyl 2-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 typically a colorless liquid with a pleasant odor, and it is soluble in organic solvents. It is commonly used as an intermediate in organic synthesis and is identified by its CAS number 533-68-6.

What are the main uses of Ethyl 2-bromobutanoate (CAS: 533-68-6)?

Ethyl 2-bromobutanoate is primarily used in pharmaceutical research as a building block for synthesizing various drugs. It also finds applications in the chemical industry for producing other brominated compounds. Additionally, it may be used in flavor and fragrance chemistry, and as a reagent in organic synthesis. Its versatility makes it a valuable compound in both academic and industrial settings, with CAS number 533-68-6.

Is Ethyl 2-bromobutanoate (CAS: 533-68-6) safe?

Ethyl 2-bromobutanoate is generally considered safe when handled properly, but it should be treated with caution. It is classified as a potential irritant, and prolonged exposure may cause health issues. Safety standards recommend using appropriate personal protective equipment (PPE) such as gloves and goggles. It is important to follow safety guidelines and maintain good ventilation when working with this compound, which has the CAS number 533-68-6.

How should Ethyl 2-bromobutanoate (CAS: 533-68-6) be stored?

Ethyl 2-bromobutanoate should be stored in a cool, dry, and well-ventilated area away from light. It is best kept in a sealed container made of glass or high-density polyethylene (HDPE) to prevent contamination and evaporation. The storage temperature should be maintained below 25°C, and humidity levels should be controlled to ensure stability. Proper storage is crucial for maintaining the quality and safety of this compound, with CAS number 533-68-6.