| Identification | More | [Name]
2,4-Difluorophenylacetic acid | [CAS]
81228-09-3 | [Synonyms]
2,4-DIFLUOROPHENYLACETIC ACID
RARECHEM AL BO 0247
Benzeneacetic acid, 2,4-difluoro-
2,4-Difluorophenylaceticacid,99%
2,4-Difluorophenylacetic acid 97%
2,4-Difluorophenylaceticacid97%
2-(2,4-difluorophenyl)acetic acid
2,4-Ddifluorophenylacetic acid, 97% | [EINECS(EC#)]
279-709-4 | [Molecular Formula]
C8H6F2O2 | [MDL Number]
MFCD00009999 | [Molecular Weight]
172.13 | [MOL File]
81228-09-3.mol |
| Chemical Properties | Back Directory | [Appearance]
white powder | [Melting point ]
115-118 °C (lit.) | [Boiling point ]
219°C (rough estimate) | [density ]
1.3010 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
Powder | [pka]
3.98±0.10(Predicted) | [color ]
White | [BRN ]
3649727 | [InChI]
InChI=1S/C8H6F2O2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12) | [InChIKey]
QPKZIGHNRLZBCL-UHFFFAOYSA-N | [SMILES]
C1(CC(O)=O)=CC=C(F)C=C1F | [CAS DataBase Reference]
81228-09-3(CAS DataBase Reference) | [NIST Chemistry Reference]
2,4-Difluorophenylacetic acid(81228-09-3) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
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 .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29163990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
white powder | [Uses]
2,4-Difluorophenylacetic acid is used in the synthesis of nonpolar peptide nucleic acid monomers containing fluoroaromatics (F-PNA). | [Synthesis]
(a) 25.7 g of 2,4-difluorobenzyl bromide was dissolved in 100 mL of tetrahydrofuran and slowly added dropwise over 0.5 h to a stirred suspension containing 3.0 g of magnesium chips and 30 mL of tetrahydrofuran. After the dropwise addition was completed, stirring of the reaction mixture was continued for 10 minutes. Subsequently, a steady stream of carbon dioxide was continuously passed into the resulting Grignard reagent for 1 hour. After completion of the reaction, the mixture was evaporated to dryness and the residue was partitioned with ether and dilute hydrochloric acid. The ether phase was separated and extracted with 2 N sodium hydroxide solution. The basic extract was acidified with concentrated hydrochloric acid and extracted with ether to give 5.1 g (24% yield) of crude 2,4-difluorophenylacetic acid. The crude product was dissolved directly in 25 mL of tetrahydrofuran without further purification and added slowly dropwise to a stirred mixture of 2.0 g of lithium aluminum hydride suspended in 100 mL of tetrahydrofuran. | [References]
[1] Patent: US4649160, 1987, A |
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