| 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) | [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 |
|
| Company Name: |
J & K SCIENTIFIC LTD.
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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/ |
| Company Name: |
Alfa Aesar
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400-6106006 |
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http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
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400-0056266 |
| Website: |
www.energy-chemical.com |
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