Azetidine,3-[4-(trifluoromethyl)phenoxy]- supplier

Name
3-(4-Trifluoromethyl-phenoxy)-azetidine
EINECS
CAS No. 76263-21-3
Article Data6
CAS DataBase
Density 1.277 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₀F₃NO
Boiling Point 257.3 °C at 760 mmHg
Molecular Weight 217.191
Flash Point 109.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-[4-(Trifluoromethyl)phenoxy]azetidine;
PSA 21.26000
LogP 2.38480

Azetidine,3-[4-(trifluoromethyl)phenoxy]- Specification

The CAS registry number of Azetidine,3-[4-(trifluoromethyl)phenoxy]- is 76263-21-3. This chemical's molecular formula is C₁₀H₁₀F₃NO and molecular weight is 217.1877. What's more, both its IUPAC name and systematic name are the same which is called 3-[4-(Trifluoromethyl)phenoxy]azetidine.

Physical properties about the Azetidine,3-[4-(trifluoromethyl)phenoxy]- are: (1) ACD/LogP: 2.48; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 7.4): 0.74; (4) ACD/BCF (pH 5.5): 1; (5) ACD/BCF (pH 7.4): 1; (6) ACD/KOC (pH 5.5): 1; (7) ACD/KOC (pH 7.4): 9.62; (8) #H bond acceptors: 2; (9) #H bond donors: 1; (10) #Freely Rotating Bonds: 2; (11) Polar Surface Area: 21.26 Å²; (12) Index of Refraction: 1.481; (13) Molar Refractivity: 48.45 cm³; (14) Molar Volume: 170 cm³; (15) Polarizability: 19.21×10^-24cm³; (16) Surface Tension: 31 dyne/cm; (17) Density: 1.277 g/cm³; (18) Flash Point: 109.4 °C; (19) Enthalpy of Vaporization: 49.49 kJ/mol; (20) Boiling Point: 257.3 °C at 760 mmHg; (21) Vapour Pressure: 0.0146 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c2ccc(OC1CNC1)cc2
(2) InChI: InChI=1/C10H10F3NO/c11-10(12,13)7-1-3-8(4-2-7)15-9-5-14-6-9/h1-4,9,14H,5-6H2
(3) InChIKey: RKANEZKQFZAZHZ-UHFFFAOYAD

Product Name

3-(4-Trifluoromethyl-phenoxy)-azetidine

Azetidine,3-[4-(trifluoromethyl)phenoxy]- Specification

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