3-(2-Bromophenyl)propionic acid Chemical Properties

Melting point:

98-102 °C (lit.)

Boiling point:

186°C/15mmHg(lit.)

Density 

1.531±0.06 g/cm3(Predicted)

refractive index 

1.579

Flash point:

154.0±20.9 °C

storage temp. 

Sealed in dry,Room Temperature

solubility 

soluble in Methanol

form 

powder to crystal

pka

4.60±0.10(Predicted)

color 

White to Orange to Green

InChI

InChI=1S/C9H9BrO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4H,5-6H2,(H,11,12)

InChIKey

AOACQJFIGWNQBC-UHFFFAOYSA-N

SMILES

C1(CCC(O)=O)=CC=CC=C1Br

CAS DataBase Reference

15115-58-9(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xn,Xi

Risk Statements 

22-36/37/38

Safety Statements 

26-36

RIDADR 

3261

WGK Germany 

2

HazardClass 

IRRITANT

HS Code 

29163990

Storage Class

11 - Combustible Solids

Hazard Classifications

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

MSDS

• Language:English Provider:SigmaAldrich

3-(2-Bromophenyl)propionic acid Usage And Synthesis

Uses

3-(2-bromophenyl)propionic acid is an inexpensive and readily available raw material. The structure of the raw material itself is very similar to that of phenyllactic acid. If a hydroxyl group can be introduced at the α-position of its carboxylic acid branch, this would be a simple method for synthesizing tanshinone derivatives.

Chemical Properties

White solid

General Description

3-(2-Bromophenyl)propionic acid is an important compound used as a pharmaceutical intermediate. It can be employed in the synthesis of compounds that reverse PD-1 resistance or macrolide compounds (MC4R agonists). The bromine atom and carboxyl group in its structure are key to the compound's high reactivity, facilitating the synthesis of other, more complex active molecules.

Hazard

3-(2-Bromophenyl)propionic acid is harmful if swallowed. Contact may cause skin irritation and severe eye irritation. Inhalation may cause respiratory irritation.

3-(2-Bromophenyl)propionic acid(15115-58-9)Related Product Information

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