Benzene,1-(phenylmethoxy)-3-(trifluoromethyl)- supplier

Name
3-BENZYLOXYBENZOTRIFLUORIDE
EINECS
CAS No. 70097-64-2
Article Data9
CAS DataBase
Density 1.214 g/cm³
Solubility
Melting Point 65-67°C
Formula C₁₄H₁₁F₃O
Boiling Point 299.4 °C at 760 mmHg
Molecular Weight 252.236
Flash Point 142.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3-(Phenylmethoxy)-1-(trifluoromethyl)benzene;3-Benzyloxybenzotrifluoride;1-(Benzyloxy)-3-(trifluoromethyl)benzene;
PSA 9.23000
LogP 4.28440

Benzene,1-(phenylmethoxy)-3-(trifluoromethyl)- Specification

The Benzene,1-(phenylmethoxy)-3-(trifluoromethyl)-, with the CAS registry number 70097-64-2, is also known as 3-Benzyloxybenzotrifluoride. This chemical's molecular formula is C₁₄H₁₁F₃O and molecular weight is 252.23. What's more, its IUPAC name is 1-phenylmethoxy-3-(trifluoromethyl)benzene. When you are using this chemical, please be cautious about it. It may cause inflammation to the skin or other mucous membranes.

Physical properties of Benzene,1-(phenylmethoxy)-3-(trifluoromethyl)- are: (1)ACD/LogP: 4.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.85; (4)ACD/LogD (pH 7.4): 4.85; (5)ACD/BCF (pH 5.5): 2859.65; (6)ACD/BCF (pH 7.4): 2859.65; (7)ACD/KOC (pH 5.5): 10366.31; (8)ACD/KOC (pH 7.4): 10366.31; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 62.39 cm³; (15)Molar Volume: 207.6 cm³; (16)Polarizability: 24.7×10^-24cm³; (17)Surface Tension: 31.8 dyne/cm; (18)Density: 1.214 g/cm³; (19)Flash Point: 142.5 °C; (20)Enthalpy of Vaporization: 51.78 kJ/mol; (21)Boiling Point: 299.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00212 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c2cc(OCc1ccccc1)ccc2
(2)Std. InChI: InChI=1S/C14H11F3O/c15-14(16,17)12-7-4-8-13(9-12)18-10-11-5-2-1-3-6-11/h1-9H,10H2
(3)Std. InChIKey: KFUXJOLIPMQFEL-UHFFFAOYSA-N

Product Name

3-BENZYLOXYBENZOTRIFLUORIDE

Benzene,1-(phenylmethoxy)-3-(trifluoromethyl)- Specification

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