Methyl 2-bromo-3-phenylpropanoate

Basic Information

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CAS Number

3196-22-3

Molecular Formula

C10H11BrO2

Molecular Weight

243.1 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

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

132-138 ºC (10 Torr)

Flash Point

117.9±21.8 ºC,

Refractive Index

1.5400-1.5450 (589.3 nm 20 ºC)

SMILES

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COC(=O)C(CC1=CC=CC=C1)Br

InChI

InChI=1S/C10H11BrO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3

InChIKey

OUCLVXLFVUBZAV-UHFFFAOYSA-N

LogP

2.1656000000000004

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

164

Synonyms & References

English

DTXSID30441467
CS-0199086
2-bromo-3-phenylpropionic acid methyl ester
FT-0747784
Methyl2-bromo-3-phenylpropanoate
SCHEMBL1008399
EN300-93042
AKOS016048398
3196-22-3
Methyl 2-bromo-3-phenylpropanoate
methyl 2-bromo-3-phenylpropionate
AKOS002680437
MFCD07786597
A854782
NS-03447
BCP22073
OUCLVXLFVUBZAV-UHFFFAOYSA-N
2-BROMO-3-PHENYL-PROPIONIC ACID METHYL ESTER
A1-03643
D97565
Benzenepropanoic acid, a-bromo-, methyl ester
BENZENEPROPANOIC ACID,α-BROMO-,METHYL ESTER
2-Brom-3-phenyl-propionsaeure-methylester
AG-F-06672
AGN-PC-00MXMM
AK-45653
CTK4G7979
methyl (2S)-2-bromo-3-phenylpropanoate
methyl rac-2-bromo-3-phenylpropionate
Methyl alpha-bromohydrocinnamate
Methyl 2-bromo-3-phenyl propanoate

MDL Number

MFCD07786597

FAQ

What is Methyl 2-bromo-3-phenylpropanoate (CAS: 3196-22-3)?

Methyl 2-bromo-3-phenylpropanoate is an organic compound with a molecular formula of C9H9BrO2. It is a colorless oily liquid with a distinctive aroma. This compound is used in pharmaceuticals, agrochemicals, and fine chemicals due to its reactivity and functionality.

What are the main uses of Methyl 2-bromo-3-phenylpropanoate (CAS: 3196-22-3)?

Methyl 2-bromo-3-phenylpropanoate is primarily used as an intermediate in the synthesis of various pharmaceutical compounds, agrochemicals, and fine chemicals. It serves as a functional group for derivatization in organic synthesis.

Is Methyl 2-bromo-3-phenylpropanoate (CAS: 3196-22-3) safe?

Methyl 2-bromo-3-phenylpropanoate is generally safe when handled under proper conditions. However, it is a hazardous material that requires appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It is flammable and should be stored away from sources of heat and ignition.

How should Methyl 2-bromo-3-phenylpropanoate (CAS: 3196-22-3) be stored?

Methyl 2-bromo-3-phenylpropanoate should be stored in a cool, dry place, protected from light and heat. It should be kept in a tightly sealed container to prevent moisture absorption. The storage temperature should be below 25°C to ensure stability and safety.