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CAS No.: | 4920-34-7 |
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Name: | 2,3,6-TRIFLUOROANISOLE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C7H5F3O |
Molecular Weight: | 162.11 |
Synonyms: | Anisole,2,3,6-trifluoro- (7CI,8CI);2,3,6-Trifluoroanisole;2,5,6-Trifluoroanisole; |
EINECS: | -0 |
Density: | 1.285 g/cm3 |
Boiling Point: | 147.7 °C at 760 mmHg |
Flash Point: | 49.1 °C |
Hazard Symbols: | F |
Risk Codes: | 10 |
Safety: | 16 |
Transport Information: | 1993 |
PSA: | 9.23000 |
LogP: | 2.11250 |
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The CAS register number of 2,3,6-Trifluoroanisole is 4920-34-7. It also can be called as 3-Methoxy-1,2,4-trifluorobenzene and the IUPAC name about this chemical is 1,2,4-trifluoro-3-methoxybenzene. The molecular formula about this chemical is C7H5F3O and molecular weight is 162.11. It belongs to the Aromatic Ethers. This chemical is flammable. When you are using it, please keep away from sources of ignition.
Physical properties about 2,3,6-Trifluoroanisole are: (1)ACD/LogP: 2.25; (2)ACD/LogD (pH 5.5): 2.25; (3)ACD/LogD (pH 7.4): 2.25; (4)ACD/BCF (pH 5.5): 30.41; (5)ACD/BCF (pH 7.4): 30.41; (6)ACD/KOC (pH 5.5): 401.05; (7)ACD/KOC (pH 7.4): 401.05; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 9.23Å2; (11)Index of Refraction: 1.435; (12)Molar Refractivity: 32.91 cm3; (13)Molar Volume: 126 cm3; (14)Polarizability: 13.04x10-24cm3; (15)Surface Tension: 26.2 dyne/cm; (16)Enthalpy of Vaporization: 36.88 kJ/mol; (17)Boiling Point: 147.7 °C at 760 mmHg; (18)Vapour Pressure: 5.53 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(F)ccc(F)c1OC
(2)InChI: InChI=1/C7H5F3O/c1-11-7-5(9)3-2-4(8)6(7)10/h2-3H,1H3
(3)InChIKey: MLDVKASVEXYFKX-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C7H5F3O/c1-11-7-5(9)3-2-4(8)6(7)10/h2-3H,1H3
(5)Std. InChIKey: MLDVKASVEXYFKX-UHFFFAOYSA-N