-
Name
4-[2-(Trifluoromethyl)phenoxy]piperidine
- EINECS
- CAS No. 824390-04-7
- Article Data14
- CAS DataBase
- Density 1.193 g/cm3
- Solubility Slightly soluble in water.
- Melting Point 96-97°C/0.5mm
- Formula C12H14F3NO
- Boiling Point 300.9 °C at 760 mmHg
- Molecular Weight 245.244
- Flash Point 135.8 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
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Hazard Symbols
Xi
- Synonyms 4-[(2-Trifluoromethylphenyl)oxy]piperidine;4-[2-(Trifluoromethyl)phenoxy]piperidine;
- PSA 21.26000
- LogP 3.16500
4-[2-(Trifluoromethyl)phenoxy]piperidine Specification
This chemical is called 4-[2-(Trifluoromethyl)phenoxy]piperidine, and it can also be named as piperidine, 4-[2-(trifluoromethyl)phenoxy]-. With the molecular formula of C12H14F3NO, its molecular weight is 245.24. The CAS registry number of this chemical is 824390-04-7. In addition, this chemical should be sealed in the cool and dry plcace, away from oxide.
Other characteristics of the 4-[2-(Trifluoromethyl)phenoxy]piperidine can be summarised as followings: (1)ACD/LogP: 3.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.07; (4)ACD/LogD (pH 7.4): 0.65; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.02; (8)ACD/KOC (pH 7.4): 3.85; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.473; (14)Molar Refractivity: 57.68 cm3; (15)Molar Volume: 205.4 cm3; (16)Polarizability: 22.86×10-24cm3; (17)Surface Tension: 30.1 dyne/cm; (18)Density: 1.193 g/cm3; (19)Flash Point: 135.8 °C; (20)Enthalpy of Vaporization: 54.1 kJ/mol; (21)Boiling Point: 300.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00109 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(F)c2c(OC1CCNCC1)cccc2
2.InChI: InChI=1/C12H14F3NO/c13-12(14,15)10-3-1-2-4-11(10)17-9-5-7-16-8-6-9/h1-4,9,16H,5-8H2
3.InChIKey: MBZJEIRMMYDAFD-UHFFFAOYAE
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