| Identification | More | [Name]
2,3-Difluorophenylacetic acid | [CAS]
145689-41-4 | [Synonyms]
2-(2,3-DIFLUOROPHENYL)ACETIC ACID
2,3-DIFLUOROBENZENEACETIC ACID
2,3-DIFLUOROPHENYLACETIC ACID
RARECHEM AL BO 0630
2 3-DIFLUOROPHENYLACETIC ACID 97%
2,3-Difluorophenylaceticacid97%
2,3-Difluorophenylacetic acid | [EINECS(EC#)]
642-544-7 | [Molecular Formula]
C8H6F2O2 | [MDL Number]
MFCD00040968 | [Molecular Weight]
172.13 | [MOL File]
145689-41-4.mol |
| Chemical Properties | Back Directory | [Melting point ]
116-119 °C (lit.) | [Boiling point ]
258.1±25.0 °C(Predicted) | [density ]
1.373±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
Crystalline Powder | [pka]
3.81±0.10(Predicted) | [color ]
White to off-white | [InChI]
InChI=1S/C8H6F2O2/c9-6-3-1-2-5(8(6)10)4-7(11)12/h1-3H,4H2,(H,11,12) | [InChIKey]
UXSQXUSJGPVOKT-UHFFFAOYSA-N | [SMILES]
C1(CC(O)=O)=CC=CC(F)=C1F | [CAS DataBase Reference]
145689-41-4(CAS DataBase Reference) |
| 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 .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29163990 |
| Hazard Information | Back Directory | [Chemical Properties]
White solid | [Uses]
2,3-Difluorophenylacetic acid may be used in chemical synthesis. | [Synthesis]
Example 19: Synthesis of 2-(2,3-difluorophenyl)acetic acid
Using methyl 2,3-difluorophenylacetate (CAS: 1036273-31-0) as a raw material, the following was performed:
1. 10 mL of water and 0.8 mL of 30% sodium hydroxide solution were added to 0.3 g of methyl 2,3-difluorophenylacetate.
2. the reaction mixture was stirred at 60 °C for 1 h until the reaction was complete.
3. After completion of the reaction, the mixture was acidified to pH=1 with concentrated hydrochloric acid.
4. The product was separated by filtration to afford 2-(2,3-difluorophenyl)acetic acid as a white solid in a yield of 0.2 g (72% yield).
Product Characterization:
1H-NMR (300 MHz, CDCl3): δ (ppm): 3.75 (s, 2H); 7.01-7.06 (m, 3H); 9.4 (bs, 1H). | [References]
[1] Patent: WO2008/78350, 2008, A2. Location in patent: Page/Page column 23 |
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