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Name |
Acetic acid,2,2-difluoro-, 1,1'-anhydride |
EINECS | 200-258-5 |
CAS No. | 401-67-2 | Density | 1.478 g/cm3 |
PSA | 43.37000 | LogP | 0.58640 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H2F4O3 | Boiling Point | 93.6 °C at 760 mmHg |
Molecular Weight | 174.052 | Flash Point | 11.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | C | |
Synonyms |
Aceticacid, difluoro-, anhydride (6CI,7CI,8CI,9CI);Difluoroacetic anhydride;2,2-Difluoroacetyl 2,2-difluoroacetate;Difluoroacetic anhydride 97%;AC1MCNUW;MolPort-001-773-680;SBB051386;AKOS005169317;CID2774048; |
Article Data | 6 |
The Acetic acid,2,2-difluoro-, 1,1'-anhydride with CAS registry number of 401-67-2 is also known as Difluoroacetic anhydride. The IUPAC name is (2,2-Difluoroacetyl) 2,2-difluoroacetate. In addition, the formula is C4H2F4O3 and the molecular weight is 174.05. This chemical may destroy living tissue on contact.
Physical properties about are: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.53; (4)ACD/LogD (pH 7.4): 0.53; (5)ACD/BCF (pH 5.5): 1.48; (6)ACD/BCF (pH 7.4): 1.48; (7)ACD/KOC (pH 5.5): 46.08; (8)ACD/KOC (pH 7.4): 46.08; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.37Å2; (13)Index of Refraction: 1.314; (14)Molar Refractivity: 22.95 cm3; (15)Molar Volume: 117.7 cm3; (16)Polarizability: 9.1×10-24cm3; (17)Surface Tension: 21.6 dyne/cm; (18)Density: 1.478 g/cm3; (19)Flash Point: 11.3 °C; (20)Enthalpy of Vaporization: 33.34 kJ/mol; (21)Boiling Point: 93.6 °C at 760 mmHg; (22)Vapour Pressure: 49 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: FC(F)C(=O)OC(=O)C(F)F
2. InChI: InChI=1/C4H2F4O3/c5-1(6)3(9)11-4(10)2(7)8/h1-2H
3. InChIKey: IYXUFOCLMOXQSL-UHFFFAOYAG
4. Std. InChI: InChI=1S/C4H2F4O3/c5-1(6)3(9)11-4(10)2(7)8/h1-2H
5. Std. InChIKey: IYXUFOCLMOXQSL-UHFFFAOYSA-N