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CAS No.: | 132896-18-5 |
---|---|
Name: | 5-Trifluoromethylbenzo[b]thiophene |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C9H5F3S |
Molecular Weight: | 202.2 |
Synonyms: | 5-(Trifluoromethyl)-1-benzothiophene; |
Density: | 1.38 g/cm3 |
Melting Point: | 50 °C |
Boiling Point: | 232.297 °C at 760 mmHg |
Flash Point: | 94.29 °C |
PSA: | 28.24000 |
LogP: | 3.92010 |
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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