| Identification | More | [Name]
3-(2-Bromophenyl)propionic acid | [CAS]
15115-58-9 | [Synonyms]
3-(2-BROMOPHENYL)PROPIONIC ACID
3-(2-Bromophenyl)propanoic acid | [Molecular Formula]
C9H9BrO2 | [MDL Number]
MFCD01310791 | [Molecular Weight]
229.07 | [MOL File]
15115-58-9.mol |
| Questions And Answer | Back Directory | [Synthesis]
The target compound 3-(2-bromophenyl)propionic acid was prepared from 3-phenylpropionic acid as the starting material via an aromatic ring bromination reaction, or from diethyl malonate and 2-bromobenzyl bromide as the starting materials via a substitution reaction. The synthetic reaction formula is shown in the figure below:  Figure 3-(2-bromophenyl)propionic acid | [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 | Back Directory | [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 | [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 Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302-H315-H319-H335 | [Precautionary statements ]
P261-P264-P270-P301+P312-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [RIDADR ]
3261 | [WGK Germany ]
2
| [Hazard Note ]
Irritant | [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 |
| Hazard Information | Back Directory | [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. |
|
| Company Name: |
J & K SCIENTIFIC LTD.
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| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
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New Energy Chemicals
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0515-82159099 13770142076 |
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http://www.njuchem.com/ |
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Alfa Aesar
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400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
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| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
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