7-Propyl-3-(trifluoromethyl)benzo[d]isoxazol-6-ol supplier

Name
7-Propyl-3-(trifluoromethyl)benzo[d]isoxazol-6-ol
EINECS
CAS No. 194608-88-3
Article Data9
CAS DataBase
Density 1.355 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₀F₃NO₂
Boiling Point 323.5 °C at 760 mmHg
Molecular Weight 245.1978
Flash Point 149.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Trifluoromethyl-7-propyl-6-hydroxybenzisoxazole;
PSA 46.26000
LogP 3.50470

7-Propyl-3-(trifluoromethyl)benzo[d]isoxazol-6-ol Specification

The 7-Propyl-3-(trifluoromethyl)benzo[d]isoxazol-6-ol, with the CAS registry number 194608-88-3, is also known as Trifluoromethyl-7-propyl-6-hydroxybenzisoxazole. This chemical's molecular formula is C₁₁H₁₀F₃NO₂ and molecular weight is 245.1978. What's more, its IUPAC name are the same is 7-Propyl-3-(trifluoromethyl)-2H-1,2-benzoxazol-6-one.

Physical properties about 7-Propyl-3-(trifluoromethyl)benzo[d]isoxazol-6-ol: (1)ACD/LogP: 2.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.99; (4)ACD/LogD (pH 7.4): 2.85; (5)ACD/BCF (pH 5.5): 109.4; (6)ACD/BCF (pH 7.4): 80.66; (7)ACD/KOC (pH 5.5): 1001.35; (8)ACD/KOC (pH 7.4): 738.3; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.26 Å²; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 55.52 cm³; (15)Molar Volume: 180.8 cm³; (16)Surface Tension: 37.6 dyne/cm; (17)Density: 1.355 g/cm³; (18)Flash Point: 149.4 °C; (19)Enthalpy of Vaporization: 58.79 kJ/mol; (20)Boiling Point: 323.5 °C at 760 mmHg; (21)Vapour Pressure: 0.000138 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c2noc1c(CCC)c(O)ccc12
(2) InChI: InChI=1/C11H10F3NO2/c1-2-3-6-8(16)5-4-7-9(6)17-15-10(7)11(12,13)14/h4-5,16H,2-3H2,1H3
(3) InChIKey: BJSYJJPIXYENQW-UHFFFAOYAU

Product Name

7-Propyl-3-(trifluoromethyl)benzo[d]isoxazol-6-ol

7-Propyl-3-(trifluoromethyl)benzo[d]isoxazol-6-ol Specification

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