ethyl 3-bromopropanoate

Basic Information

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CAS Number

539-74-2

Molecular Formula

C5H9BrO2

Molecular Weight

181.03 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

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

135-136 °C/50 mmHg

Water Solubility

Soluble in water, alcohol, chloroform, benzene.

Solubility

H2O: soluble

Refractive Index

n20/D 1.452(lit.)

SMILES

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CCOC(=O)CCBr

InChI

InChI=1S/C5H9BrO2/c1-2-8-5(7)3-4-6/h2-4H2,1H3

InChIKey

FQTIYMRSUOADDK-UHFFFAOYSA-N

LogP

1.3345

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

72.8

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

Sensitiveness

Light Sensitive

Synonyms & References

English

NS00032900
ethyl 3-bromo-propanoate
AI3-30431
InChI=1/C5H9BrO2/c1-2-8-5(7)3-4-6/h2-4H2,1H3
Ethyl .beta.-bromopropionate
EN300-52880
AKOS005207111
beta-Bromo-propionic acid, ethyl ester
Propanoic acid, 3-bromo-, ethyl ester
FT-0668181
F0001-1399
SCHEMBL212144
9B28G9S1JV
ethyl-3-bromoproprionate
3-bromo-propionic acid ethyl ester
ethyl 3-bromo-propionate
ethyl-3-bromoproionate
SY001430
ethyl 3bromopropionate
Ethyl 3-bromopropionate
ETHYL-3-BROMOPROPIONATE
.BETA.-BROMOPROPIONIC ACID ETHYL ESTER [MI]
Q27272296
FQTIYMRSUOADDK-UHFFFAOYSA-
DS-2424
3-Bromopropionic acid ethyl ester
NSC 21812
DTXSID9060235
B0647
MFCD00000251
Ethyl beta-bromopropionate

MDL Number

MFCD00000251

Customs Code

2915900090

FAQ

What is ethyl 3-bromopropanoate (CAS: 539-74-2)?

Ethyl 3-bromopropanoate is a brominated ester with the chemical formula C5H10BrO2. It is a colorless liquid with a characteristic odor, commonly used in organic synthesis. The compound exhibits moderate solubility in organic solvents and is known for its reactivity in nucleophilic substitution reactions due to the bromine atom's electrophilic nature.

What are the main uses of ethyl 3-bromopropanoate (CAS: 539-74-2)?

Ethyl 3-bromopropanoate is primarily used as an intermediate in pharmaceutical and agrochemical synthesis. It serves as a key building block for creating complex molecules in research settings. Additionally, it finds applications in polymer science and as a reagent in esterification processes, leveraging its bromide functionality for functional group transformations.

Is ethyl 3-bromopropanoate (CAS: 539-74-2) safe?

Ethyl 3-bromopropanoate is classified as a hazardous substance due to its potential to cause skin and eye irritation. Inhalation or ingestion may lead to toxicity, so handling should be done in a well-ventilated area with appropriate PPE. Safety standards recommend avoiding prolonged exposure and following OSHA guidelines for chemical storage and disposal to minimize risks.

How should ethyl 3-bromopropanoate (CAS: 539-74-2) be stored?

Ethyl 3-bromopropanoate should be stored in a cool, dry, and dark place, ideally at 25°C with low humidity. Keep in tightly sealed, non-reactive containers to prevent moisture ingress. Avoid exposure to heat sources and store away from light to maintain stability. Ensure proper ventilation to reduce inhalation risks during handling.