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

Name
3-[3-(trifluoromethyl)phenoxy]azetidine
EINECS 604-604-1
CAS No. 76263-23-5
Article Data2
CAS DataBase
Density 1.278 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₀F₃NO
Boiling Point 251.816 °C at 760 mmHg
Molecular Weight 217.191
Flash Point 106.095 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(3-Trifluoromethylphenoxy)azetidine;
PSA 21.26000
LogP 3.18680

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

The CAS registry number of Azetidine,3-[3-(trifluoromethyl)phenoxy]- is 76263-23-5. 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-[3-(Trifluoromethyl)phenoxy]azetidine.

Physical properties about the Azetidine,3-[3-(trifluoromethyl)phenoxy]- are: (1) ACD/LogP: 1.68; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -1; (4) ACD/LogD (pH 7.4): 0; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 1; (8) ACD/KOC (pH 7.4): 5; (9) #H bond acceptors: 2; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 21.26 Å²; (13) Index of Refraction: 1.482; (14) Molar Refractivity: 48.459 cm³; (15) Molar Volume: 170.008 cm³; (16) Polarizability: 19.211×10^-24 cm³; (17) Surface Tension: 31.047 dyne/cm; (18) Density: 1.278 g/cm³; (19) Flash Point: 106.095 °C; (20) Enthalpy of Vaporization: 48.914 kJ/mol; (21) Boiling Point: 251.816 °C at 760 mmHg; (22) Vapour Pressure: 0.02 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c2cccc(OC1CNC1)c2
(2) InChI: InChI=1/C10H10F3NO/c11-10(12,13)7-2-1-3-8(4-7)15-9-5-14-6-9/h1-4,9,14H,5-6H2
(3) InChIKey: ADXWWNMHZFPXKW-UHFFFAOYAN

Product Name

3-[3-(trifluoromethyl)phenoxy]azetidine

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

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