6-(Trifluoromethyl)isoquinolin-1(2H)-one supplier

Name
6-(Trifluoromethyl)isoquinolin-1(2H)-one
EINECS
CAS No. 1184916-59-3
Density 1.37 g/cm³
Solubility
Melting Point
Formula C₁₀H₆F₃NO
Boiling Point 374.627 °C at 760 mmHg
Molecular Weight 213.1559
Flash Point 180.368 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-(Trifluoromethyl)-2H-isoquinolin-1-one;
PSA 32.86000
LogP 2.54690

6-(Trifluoromethyl)isoquinolin-1(2H)-one Specification

The 6-(Trifluoromethyl)isoquinolin-1(2H)-one, with the CAS registry number of 1184916-59-3, is also known as 1(2H)-Isoquinolinone, 6-(trifluoromethyl)-. This chemical's molecular formula is C₁₀H₆F₃NO and molecular weight is 213.1559. What's more, its IUPAC name is 6-(Trifluoromethyl)-2H-isoquinolin-1-one.

Physical properties about 6-(Trifluoromethyl)isoquinolin-1(2H)-one are: (1)ACD/LogP: 3.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.021; (4)ACD/LogD (pH 7.4): 3.021; (5)ACD/BCF (pH 5.5): 116.309; (6)ACD/BCF (pH 7.4): 116.303; (7)ACD/KOC (pH 5.5): 1047.553; (8)ACD/KOC (pH 7.4): 1047.499; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.1 Å²; (13)Index of Refraction: 1.509; (14)Molar Refractivity: 46.489 cm³; (15)Molar Volume: 155.597 cm³; (16)Surface Tension: 33.933 dyne/cm; (17)Density: 1.37 g/cm³; (18)Flash Point: 180.368 °C; (19)Enthalpy of Vaporization: 62.204 kJ/mol; (20)Boiling Point: 374.627 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc2c(cc[nH]c2=O)cc1C(F)(F)F
(2) InChI: InChI=1/C10H6F3NO/c11-10(12,13)7-1-2-8-6(5-7)3-4-14-9(8)15/h1-5H,(H,14,15)
(3) InChIKey: VOZOQWOUOOVFSB-UHFFFAOYAI

Product Name

6-(Trifluoromethyl)isoquinolin-1(2H)-one

6-(Trifluoromethyl)isoquinolin-1(2H)-one Specification

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