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625126-83-2

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Basic Information
CAS No.: 625126-83-2
Name: 7-(trifluoromethyl)-1,2,3,4-tetrahydro-5-nitroisoquinoline hydrochloride
Article Data: 3
Molecular Structure:
Molecular Structure of 625126-83-2 (7-(trifluoromethyl)-1,2,3,4-tetrahydro-5-nitroisoquinoline hydrochloride)
Formula: C10H9F3N2O2
Molecular Weight: 246.19
Synonyms: 7-(trifluoromethyl)-1,2,3,4-tetrahydro-5-nitroisoquinoline hydrochloride
Density: 1.385±0.06 g/cm3(Predicted)
Boiling Point: 326.9°C at 760 mmHg
Flash Point: 151.5°C
PSA: 57.85000
LogP: 3.91330
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Chemistry

Molecular Structure of 7-(Trifluoromethyl)-1,2,3,4-tetrahydro-5-nitroisoquinoline hydrochloride (CAS No.625126-83-2):

Molecular Formula: C10H10ClF3N2O2
Molecular Weight: 282.6468
CAS No: 625126-83-2
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 57.85 Å2
Flash Point: 151.5 °C
Enthalpy of Vaporization: 58.04 kJ/mol
Boiling Point: 326.9 °C at 760 mmHg
Vapour Pressure: 0.000152 mmHg at 25°C
InChI: InChI=1/C10H9F3N2O2.ClH/c11-10(12,13)7-3-6-5-14-2-1-8(6)9(4-7)15(16)17;/h3-4,14H,1-2,5H2;1H
InChIKey: VEQZQAWEESZUCL-UHFFFAOYAR
Std. InChI: InChI=1S/C10H9F3N2O2.ClH/c11-10(12,13)7-3-6-5-14-2-1-8(6)9(4-7)15(16)17;/h3-4,14H,1-2,5H2;1H
Std. InChIKey: VEQZQAWEESZUCL-UHFFFAOYSA-N
Product Categories: Chiral chemicals

Specification

7-(Trifluoromethyl)-1,2,3,4-tetrahydro-5-nitroisoquinoline hydrochloride (CAS No.625126-83-2),its synonyms are 5-Nitro-7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride (1:1) ; Isoquinoline, 1,2,3,4-tetrahydro-5-nitro-7-(trifluoromethyl)-, hydrochloride (1:1) ; 7-(Trifluoromethyl)-1,2,3,4-tetrahydro-5-nitroisoquinoline HCl ; 7-(Trifluoromethyl)-1,2,3,4-tetrahydro-5-nitroisoquinoline hydrochloride  .