| Identification | More | [Name]
Difluoroacetic acid | [CAS]
381-73-7 | [Synonyms]
1,1-DIFLUOROACETIC ACID
2,2-DIFLUOROACETIC ACID
DIFLUOROACETIC ACID
VITAS-BB TBB000649
Acetic acid, difluoro-
difluoro-aceticaci
Difluoroaceticacid98%
DIFLUOROACETATE | [EINECS(EC#)]
206-839-0 | [Molecular Formula]
C2H2F2O2 | [MDL Number]
MFCD00004220 | [Molecular Weight]
96.03 | [MOL File]
381-73-7.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless to light brown liquid | [Melting point ]
-1 °C (lit.) | [Boiling point ]
132-134 °C (lit.) | [density ]
1.526 g/mL at 25 °C(lit.)
| [vapor pressure ]
11.7hPa at 25℃ | [refractive index ]
n20/D 1.344(lit.)
| [Fp ]
174 °F
| [storage temp. ]
Sealed in dry,2-8°C | [solubility ]
540.54g/L in organic solvents at 20 ℃ | [form ]
Liquid | [pka]
pK1:1.33 (25°C) | [color ]
Clear colorless to light brown | [Specific Gravity]
1.527 (20℃) | [Water Solubility ]
1000g/L at 37℃ | [BRN ]
1098588 | [InChIKey]
PBWZKZYHONABLN-UHFFFAOYSA-N | [LogP]
0.601 at 37℃ | [CAS DataBase Reference]
381-73-7(CAS DataBase Reference) | [NIST Chemistry Reference]
Difluoroacetic acid(381-73-7) | [EPA Substance Registry System]
381-73-7(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
C | [Risk Statements ]
R34:Causes burns.
R35:Causes severe burns. | [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 .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
UN 3265 8/PG 2
| [WGK Germany ]
3
| [RTECS ]
AG9900000
| [Hazard Note ]
Corrosive | [TSCA ]
T | [HazardClass ]
8 | [PackingGroup ]
II | [HS Code ]
29159080 |
| Hazard Information | Back Directory | [Chemical Properties]
clear colorless to light brown liquid | [Uses]
Used in the preparation of 2-difluoromethylbenzimidazoles, -oxazoles and -thiazoles from ortho-substituted anilines mediated by triphenylphoshine. | [Definition]
ChEBI: A monocarboxylic acid that is acetic acid in which two of the methyl hydrogens are substituted by fluorines. | [Flammability and Explosibility]
Nonflammable | [Synthesis]
The following is the generic synthesis procedure employed in Examples 10 to 12: 2 g of dichloroacetic acid was added to an aqueous solution of potassium fluoride (KF) preheated to 120°C. The reaction system was kept continuously stirred at 120°C for 1 hour. Upon completion of the reaction, the system was cooled to room temperature and the aqueous solution was subsequently analyzed by nuclear magnetic resonance hydrogen spectroscopy (1H NMR) and nuclear magnetic resonance fluorine spectroscopy (19F NMR). The specific operating conditions and corresponding results are detailed in the following table (III). | [Purification Methods]
Purify the acid by distilling over P2O5. The acid chloride is a fuming liquid b 25o/atm, and the amide has b 108.6o/35mm, m 52o (from *C6H6), and the anilide has b 90o/1mm, 114o/5mm, m 58o [Henne & Pelley J Am Chem Soc 74 1426 1952, Coffman et al. J Org Chem 14 749 1949, NMR: Meyer et al. J Am Chem Soc 75 4567 1953, pK: Wegscheider Z Phys Chem 69 614 1909]. [Beilstein 2 IV 455.] | [References]
[1] Patent: US2013/131375, 2013, A1. Location in patent: Paragraph 0116; 0117; 0118; 0119 |
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