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| CAS No.: | 67570-38-1 |
|---|---|
| Name: | 2-[3,5-Bis(trifluoromethyl)phenyl]propan-2-ol |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C11H10F6O |
| Molecular Weight: | 272.19 |
| Synonyms: | 2-(3,5-Bis(trifluoromethyl)phenyl)propan-2-ol; |
| Density: | 1.333g/cm3 |
| Melting Point: | 62.5-63.5 °C(Solv: pentane (109-66-0)) |
| Boiling Point: | 184.2 °C at 760 mmHg |
| Flash Point: | 65.2 °C |
| PSA: | 20.23000 |
| LogP: | 3.95160 |
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- Total:19 Page 1 of 1 1
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Specification
The 2-[3,5-Bis(trifluoromethyl)phenyl]propan-2-ol with cas registry number of 67570-38-1, has the systematic name of 2-[3,5-bis(trifluoromethyl)phenyl]propan-2-ol. And it is also named benzenemethanol, alpha,alpha-dimethyl-3,5-bis(trifluoromethyl)-.
Physical properties about this chemical are: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.15; (4)ACD/LogD (pH 7.4): 3.15; (5)ACD/BCF (pH 5.5): 147.14; (6)ACD/BCF (pH 7.4): 147.14; (7)ACD/KOC (pH 5.5): 1239.57; (8)ACD/KOC (pH 7.4): 1239.57; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.418; (14)Molar Refractivity: 51.5 cm3; (15)Molar Volume: 204.1 cm3; (16)Polarizability: 20.41×10-24cm3; (17)Surface Tension: 22.9 dyne/cm; (18)Enthalpy of Vaporization: 44.46 kJ/mol; (19)Vapour Pressure: 0.477 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(O)(C)C;
(2)InChI: InChI=1/C11H10F6O/c1-9(2,18)6-3-7(10(12,13)14)5-8(4-6)11(15,16)17/h3-5,18H,1-2H3;
(3)InChIKey: CLPUBDXEFYRXMU-UHFFFAOYAR;
(4)Std. InChI: InChI=1S/C11H10F6O/c1-9(2,18)6-3-7(10(12,13)14)5-8(4-6)11(15,16)17/h3-5,18H,1-2H3;
(5)Std. InChIKey: CLPUBDXEFYRXMU-UHFFFAOYSA-N