| Identification | More | [Name]
3-(2-Fluorophenyl)propionic acid | [CAS]
1643-26-1 | [Synonyms]
3-(2-FLUOROPHENYL)PROPANOIC ACID
3-(2-FLUOROPHENYL)PROPIONIC ACID
3-(2-FLUOROPHENYL)PROPRIONIC ACID
AKOS BC-2701
ASINEX-REAG BAS 12820390
TIMTEC-BB SBB010203
3-(2-Fluorophenyl)propionic acid 98%
3-(2-Fluorophenyl)propionicacid98%
3-(2-Fluorophenyl)propionic acid, HPLC 98% | [Molecular Formula]
C9H9FO2 | [MDL Number]
MFCD01310820 | [Molecular Weight]
168.16 | [MOL File]
1643-26-1.mol |
| Chemical Properties | Back Directory | [Melting point ]
74-78 °C | [Boiling point ]
273.7±15.0 °C(Predicted) | [density ]
1.222±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
solid | [pka]
4.65±0.10(Predicted) | [Appearance]
White to light yellow Solid | [InChI]
1S/C9H9FO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4H,5-6H2,(H,11,12) | [InChIKey]
GUZLQEOSDXLCKX-UHFFFAOYSA-N | [SMILES]
OC(=O)CCc1ccccc1F | [CAS DataBase Reference]
1643-26-1(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
C,Xi,Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [WGK Germany ]
3 | [Hazard Note ]
Corrosive | [HazardClass ]
IRRITANT, CORROSIVE | [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]
Off-white solid | [Synthesis]
c) Preparation of 3-(2-fluorophenyl)propionic acid
A mixture of ethyl 3-(2-fluorophenyl)propionate (25.54 g, 0.130 mol) with 50% aqueous sodium hydroxide solution (30 mL) in water (130 mL) was refluxed for 2 hours. Upon completion of the reaction, the mixture was cooled to room temperature and subsequently washed with ether (2 x 100 mL) to remove organic impurities. The aqueous phase was cooled in an ice bath and the pH was adjusted to 3 by slow dropwise addition of hydrochloric acid to promote precipitation of 3-(2-fluorophenyl)propionic acid. The white precipitate formed was collected by filtration and washed several times with water to remove residual inorganic salts. Finally, the product was dried under vacuum at 60 °C for 18 h to afford 18.66 g (85% yield) of 3-(2-fluorophenyl)propionic acid as a white solid with a melting point of 72°-74 °C. The purity of the product met the requirements for subsequent use without further purification. | [References]
[1] Patent: US5872118, 1999, A |
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