Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
7-Propyl-3-(trifluoromethyl)benzo[d]isoxazol-6-ol |
EINECS | N/A |
CAS No. | 194608-88-3 | Density | 1.355 g/cm3 |
PSA | 46.26000 | LogP | 3.50470 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H10F3NO2 | Boiling Point | 323.5 °C at 760 mmHg |
Molecular Weight | 245.1978 | Flash Point | 149.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Trifluoromethyl-7-propyl-6-hydroxybenzisoxazole; |
Article Data | 9 |
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