3-Bromodihydro-2(3H)-furanone

Basic Information

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CAS Number

5061-21-2

Molecular Formula

C4H5BrO2

Molecular Weight

164.99 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 Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

140°C/20mmHg

Refractive Index

n20/D 1.508(lit.)

SMILES

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C1COC(=O)C1Br

InChI

InChI=1S/C4H5BrO2/c5-3-1-2-7-4(3)6/h3H,1-2H2

InChIKey

LFJJGHGXHXXDFT-UHFFFAOYSA-N

LogP

0.6968000000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

91.7

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

Moisture Sensitive/Lachrymatory

Synonyms & References

English

2-Bromo-4-butyrolactone
AC-18401
DS-12622
a-Bromo-
alpha -Bromo- gamma -butyrolactone
3-Bromodihydro-2(3H)-furanone
2(3H)-Furanone, 3-bromodihydro-
FT-0622118
H10671
alpha-Bromo-gamma-butyrolactone
5061-21-2
NSC56959
A-butyrolactone
(+/-)-alpha-bromo-gamma-butyrolactone
3-bromotetrahydrofuran-2-one
2-Bromo-4-butanolide
3-Bromo-2-furanone
bromobutyrolactone
2-Bromo-.gamma.-butyrolactone
A-butyrolatone
EINECS 225-764-4
NSC-11726
3-bromodihydrofuran-2(3H)-one
2-Bromo-4-hydroxybutyric acid -lactone
AKOS016041972
.alpha.-Bromo-.gamma.-butyrolactone
NSC 56959
DTXSID20884127
3-Bromodihydro-2-furanone
3-Bromo-2-oxotetrahydrofuran

MDL Number

MFCD00005387

Customs Code

29322980

FAQ

What are the physical and chemical properties of 3-Bromodihydro-2(3H)-furanone (CAS: 5061-21-2)?

3-Bromodihydro-2(3H)-furanone (CAS: 5061-21-2) is a crystalline compound with a molecular weight of 161.01 g/mol. It has a melting point of 46-48°C and is soluble in organic solvents such as ethanol and acetone. This compound is known for its reactivity towards nucleophiles, particularly in substitution reactions at the bromine atom.

How is 3-Bromodihydro-2(3H)-furanone (CAS: 5061-21-2) typically synthesized?

3-Bromodihydro-2(3H)-furanone (CAS: 5061-21-2) is typically synthesized through the bromination of dihydrofuran. The reaction is catalyzed by a Lewis acid such as aluminum tribromide (AlBr3) or zinc bromide (ZnBr2), with high selectivity and good yield. The process involves the addition of bromine to the double bond of dihydrofuran under anhydrous conditions.

What industries use 3-Bromodihydro-2(3H)-furanone (CAS: 5061-21-2)?

3-Bromodihydro-2(3H)-furanone (CAS: 5061-21-2) is utilized in various industries. It is commonly used in the pharmaceutical industry for the synthesis of certain intermediates and in the production of fragrances. Additionally, it has applications in the polymer industry as a monomer, and in the sensor industry for the detection of specific chemical compounds.

What precautions should be taken when handling 3-Bromodihydro-2(3H)-furanone (CAS: 5061-21-2)?

When handling 3-Bromodihydro-2(3H)-furanone (CAS: 5061-21-2), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. The compound should be stored in a well-ventilated area and handled in a fume hood to minimize exposure. In case of spillage, the area should be ventilated and the spill cleaned up using appropriate methods. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.