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| CAS No.: | 220247-87-0 |
|---|---|
| Name: | 7-TRIFLUOROMETHYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE HYDROCHLORIDE |
| Molecular Structure: | |
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| Formula: | C10H10F3N.HCl |
| Molecular Weight: | 237.652 |
| Synonyms: | Isoquinoline,1,2,3,4-tetrahydro-7-(trifluoromethyl)-, hydrochloride (9CI);7-Trifluoromethyl-1,2,3,4-tetrahydroisoquinolinehydrochloride; |
| Boiling Point: | 228.9 °C at 760 mmHg |
| Flash Point: | 92.2 °C |
| PSA: | 12.03000 |
| LogP: | 3.48190 |
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Specification
The 7-Trifluoromethyl-1,2,3,4-tetrahydroisoquinoline hydrochloride with the CAS number 220247-87-0 is also called Isoquinoline,1,2,3,4-tetrahydro-7-(trifluoromethyl)-, hydrochloride (1:1). Its molecular formula is C10H10F3N.HCl. This chemical should be stored in dry and cool environment.
The properties of the 7-Trifluoromethyl-1,2,3,4-tetrahydroisoquinoline hydrochloride are: (1)ACD/LogD (pH 7.4): 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 10; (6)#H bond acceptors: 1; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 0; (9)Enthalpy of Vaporization: 46.55 kJ/mol; (10)Vapour Pressure: 0.0716 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].FC(F)(F)c1ccc2c(c1)C[NH2+]CC2
(2)InChI: InChI=1/C10H10F3N.ClH/c11-10(12,13)9-2-1-7-3-4-14-6-8(7)5-9;/h1-2,5,14H,3-4,6H2;1H
(3)InChIKey: KAYKKSBELWYSON-UHFFFAOYAY