The CAS registry number of 5-Trifluoromethylbenzo[b]thiophene is 132896-18-5. The molecular formula of it is C9H5F3S and molecular weight is 202.1962. Its systematic name and IUPAC name are the same which is called 5-(Trifluoromethyl)-1-benzothiophene.
Physical properties about this chemical are: (1)ACD/LogP: 3.91; (2)# of Rule of 5 Violations: 0; (3)Index of Refraction: 1.561; (4)Molar Refractivity: 47.46 cm3; (5)Molar Volume: 146.539 cm3; (6)Surface Tension: 33.095 dyne/cm; (7)Density: 1.38 g/cm3; (8)Flash Point: 94.29 °C; (9)Enthalpy of Vaporization: 44.994 kJ/mol; (10)Boiling Point: 232.297 °C at 760 mmHg; (12)Vapour Pressure: 0.09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c2cc1c(scc1)cc2
(2)InChI: InChI=1/C9H5F3S/c10-9(11,12)7-1-2-8-6(5-7)3-4-13-8/h1-5H
(3)InChIKey: VXLMZARIOJWWCJ-UHFFFAOYAI
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View