5-Fluoroisoquinolin-1(2H)-one supplier

Name
1(2H)-Isoquinolinone,5-fluoro-(9CI)
EINECS
CAS No. 410086-25-8
Article Data3
CAS DataBase
Density 1.292 g/cm³
Solubility
Melting Point
Formula C₉H₆FNO
Boiling Point 387.162 °C at 760 mmHg
Molecular Weight 163.151143
Flash Point 187.949 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1(2H)-Isoquinolinone,5-fluoro-(9CI);
PSA 33.12000
LogP 2.07950

5-Fluoroisoquinolin-1(2H)-one Specification

The CAS register number of 5-Fluoroisoquinolin-1(2H)-one is 410086-25-8. It also can be called as 1(2H)-Isoquinolinone,5-fluoro-(9CI). The molecular formula about this chemical is C₉H₆FNO and the molecular weight is 163.151143. It belongs to the following product category which includes Halide.

Physical properties about 5-Fluoroisoquinolin-1(2H)-one are: (1)ACD/LogP: 3.43; (2)ACD/BCF (pH 5.5): 5; (3)ACD/BCF (pH 7.4): 5; (4)ACD/KOC (pH 5.5): 106; (5)ACD/KOC (pH 7.4): 106; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)Polar Surface Area: 29.1 Å²; (9)Index of Refraction: 1.571; (10)Molar Refractivity: 41.503 cm³; (11)Molar Volume: 126.296 cm³; (12)Polarizability: 16.453x10^-24cm³; (13)Surface Tension: 41.678 dyne/cm; (14)Density: 1.292 g/cm³; (15)Flash Point: 187.949 °C; (16)Enthalpy of Vaporization: 63.619 kJ/mol; (17)Boiling Point: 387.162 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc2cccc1c2\C=C/NC1=O
(2)InChI: InChI=1/C9H6FNO/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-5H,(H,11,12)
(3)InChIKey: OIWXBOQZFZCUPA-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C9H6FNO/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-5H,(H,11,12)
(5)Std. InChIKey: OIWXBOQZFZCUPA-UHFFFAOYSA-N

Product Name

1(2H)-Isoquinolinone,5-fluoro-(9CI)

5-Fluoroisoquinolin-1(2H)-one Specification

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