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| | 3-(2-Bromophenyl)propionic acid Basic information | | Uses |
| | 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 | | Fp | 154.0±20.9 °C | | storage temp. | Sealed in dry,Room Temperature | | solubility | soluble in Methanol | | pka | 4.60±0.10(Predicted) | | form | powder to crystal | | 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) |
| 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 |
| | 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 Preparation Products And Raw materials |
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