Methyl 2,3-dibromopropanoate

Basic Information

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CAS Number

1729-67-5

Molecular Formula

C4H6Br2O2

Molecular Weight

245.9 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

Melting Point

8ºC

Boiling Point

204°C

Refractive Index

n20/D 1.514

SMILES

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COC(=O)C(CBr)Br

InChI

InChI=1S/C4H6Br2O2/c1-8-4(7)3(6)2-5/h3H,2H2,1H3

InChIKey

ROXQOUUAPQUMLN-UHFFFAOYSA-N

LogP

1.3177999999999999

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

84.1

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

NSC 9372
Caswell No. 561
InChI=1/C4H6Br2O2/c1-8-4(7)3(6)2-5/h3H,2H2,1H
1729-67-5
69GU2PIR6V
AKOS022181546
SCHEMBL296242
Tox21_301977
FT-0624676
CHEMBL3183093
EN300-16660
NSC9372
MFCD00017882
AS-44668
2,3-DIBROMOPROPIONIC ACID METHYL ESTER
AB2902
Methyl 2,3-dibromopropionate, >=97.0% (GC)
2,3-dibromo-propionic acid methyl ester
Propanoic acid, 2,3-dibromo-, methyl ester
DTXCID0022145
NCGC00255961-01
AI3-50603
Methyl .alpha.,.beta.-dibromopropionate
Propionic acid,3-dibromo-, methyl ester
Methyl 2,3-dibromopropionate
Methyl 2,3-dibromopropanoate
Methyl 2 pound not3-Dibromopropionate
J-010866
CAS-1729-67-5
M3182
(+/-)-2,3-DIBROMOPROPIONIC ACID METHYL ESTER

MDL Number

MFCD00017882

Customs Code

2915900090

FAQ

What is Methyl 2,3-dibromopropanoate (CAS: 1729-67-5)?

Methyl 2,3-dibromopropanoate (CAS: 1729-67-5) is an organic compound with the molecular formula C5H7Br2O2. It is a colorless or slightly yellow liquid with a distinctive bromine odor. This compound is prepared by reacting 2,3-dibromopropanol with acetic anhydride.

What are the main uses of Methyl 2,3-dibromopropanoate (CAS: 1729-67-5)?

Methyl 2,3-dibromopropanoate (CAS: 1729-67-5) is primarily used as a brominating agent in organic synthesis. It is also utilized in the production of other brominated compounds and as a reagent in pharmaceutical and polymer manufacturing. Additionally, it finds application in the synthesis of certain agrochemicals and as a laboratory reagent.

Is Methyl 2,3-dibromopropanoate (CAS: 1729-67-5) safe?

Methyl 2,3-dibromopropanoate (CAS: 1729-67-5) is classified as a hazardous material due to its bromine content. It is corrosive and can cause severe skin irritation and damage if not handled properly. Proper protective measures, such as gloves and goggles, are necessary when handling this compound. It is also flammable and should be stored in a cool, dry place away from sources of ignition.

How should Methyl 2,3-dibromopropanoate (CAS: 1729-67-5) be stored?

Methyl 2,3-dibromopropanoate (CAS: 1729-67-5) should be stored in a tightly sealed container in a cool, dry, and well-ventilated area. It should be kept away from sources of ignition and incompatible materials such as reducing agents, water, and alcohols. The storage temperature should not exceed 25°C to prevent degradation and ensure stability. It is also advisable to avoid exposure to light and excessive humidity.