| Identification | More | [Name]
2-Fluorophenylacetic acid | [CAS]
451-82-1 | [Synonyms]
2-FLUOROPHENYLACETIC ACID
O-FLUOROPHENYLACETIC ACID
RARECHEM AL BO 0110
2-fluoro-benzeneaceticaci
Acetic acid, (o-fluorophenyl)-
Benzeneacetic acid, 2-fluoro-
o-Fluorophenylacetic Acid 2-Fluorophenylacetic Acid
2-Fluorophenylacetic acid, 98+%
2-Fluorophenylacetic acid 97%
2-Fluorophenylaceticacid97%
2-fluoro-benzeneacetic acid | [EINECS(EC#)]
207-196-9 | [Molecular Formula]
C8H7FO2 | [MDL Number]
MFCD00004315 | [Molecular Weight]
154.14 | [MOL File]
451-82-1.mol |
| Chemical Properties | Back Directory | [Appearance]
white to off-white shiny crystals or crystalline | [Melting point ]
60-62 °C (lit.) | [Boiling point ]
203.5°C (rough estimate) | [density ]
1.1850 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Chloroform (Sparingly), Methanol (Slightly) | [form ]
Solid | [pka]
4.01±0.10(Predicted) | [color ]
Off-White | [BRN ]
775955 | [InChI]
InChI=1S/C8H7FO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11) | [InChIKey]
RPTRFSADOICSSK-UHFFFAOYSA-N | [SMILES]
C1(CC(O)=O)=CC=CC=C1F | [CAS DataBase Reference]
451-82-1(CAS DataBase Reference) | [NIST Chemistry Reference]
O-fluorophenylacetic acid(451-82-1) | [EPA Substance Registry System]
451-82-1(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R38:Irritating to the skin.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S27:Take off immediately all contaminated clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [WGK Germany ]
3
| [F ]
13 | [Hazard Note ]
Irritant | [TSCA ]
T | [HazardClass ]
IRRITANT | [HS Code ]
29163900 |
| Hazard Information | Back Directory | [Chemical Properties]
white to off-white shiny crystals or crystalline | [Uses]
2-Fluorophenylacetic acid was used:
- in the synthesis of thiazolino[3,2-c]pyrimidin-5,7-diones and N-[2-(3,4-dichlorophenyl)-ethyl]-N′-[2-(2-fluorophenyl)-ethyl]-ethane-1,2-diamine
- as chiral derivatizing agent for determination of enantiomeric composition of chiral, nonracemic compounds by 19F NMR spectroscopy
| [General Description]
2-Fluorophenylacetic acid is chiral derivatizing agent for determination of enantiomeric composition of chiral, nonracemic compounds by 19F NMR spectroscopy. | [Synthesis]
The Schlenk tube was heated under a high vacuum, pre-dried with calcium chloride, and filled with CO2 gas. Bis(4-methoxyphenyl)zinc magnesium chloride lithium chloride (12.8 ml, 0:39 M in THF, 5.0 mmol) was added, and CO2 was passed through the solution for 5 minutes. The reaction mixture was stirred at 25 °C for 6 hours. Diethyl ether (50 ml) was added, and the organic phase was extracted with 2M NaOH (3×50 ml). The combined aqueous phases were acidified with 2M HCl (pH <5) and extracted with diethyl ether (3×50 ml). The combined organic phases were dried over sodium sulfate, and the solvent was removed in vacuo. 2-Fluorophenylacetic acid was obtained in a yield of 100%.
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