1(2H)-Isoquinolinone,5-fluoro-3,4-dihydro- supplier

Name
5-FLOUORO-3,4-DIHYDRO-1(2H)-ISOQUINOLINONE
EINECS
CAS No. 230301-83-4
Article Data7
CAS DataBase
Density 1.241 g/cm³
Solubility
Melting Point
Formula C₉H₈FNO
Boiling Point 398.8 °C at 760 mmHg
Molecular Weight 165.167
Flash Point 195 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Flouoro-3,4-dihydro-1(2h)-isoquinolinone;
PSA 29.10000
LogP 1.44040

1(2H)-Isoquinolinone,5-fluoro-3,4-dihydro- Specification

The CAS register number of 1(2H)-Isoquinolinone,5-fluoro-3,4-dihydro- is 230301-83-4. It also can be called as 5-Flouoro-3,4-dihydro-1(2h)-isoquinolinone and the systematic name about this chemical is 5-fluoro-3,4-dihydroisoquinolin-1(2H)-one. The molecular formula about this chemical is C₉H₈FNO and the molecular weight is 165.06.

Physical properties about 1(2H)-Isoquinolinone,5-fluoro-3,4-dihydro- are: (1)ACD/LogP: 1.09; (2)ACD/LogD (pH 5.5): 1.09; (3)ACD/LogD (pH 7.4): 1.09; (4)ACD/BCF (pH 5.5): 3.98; (5)ACD/BCF (pH 7.4): 3.98; (6)ACD/KOC (pH 5.5): 93.6; (7)ACD/KOC (pH 7.4): 93.6; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 29.1 Å²; (11)Index of Refraction: 1.542; (12)Molar Refractivity: 41.89 cm³; (13)Molar Volume: 133 cm³; (14)Polarizability: 16.61x10^-24cm³; (15)Surface Tension: 39.4 dyne/cm; (16)Density: 1.241 g/cm³; (17)Flash Point: 195 °C; (18)Enthalpy of Vaporization: 64.94 kJ/mol; (19)Boiling Point: 398.8 °C at 760 mmHg; (20)Vapour Pressure: 1.44E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2NCCc1c2cccc1F
(2)InChI: InChI=1/C9H8FNO/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-3H,4-5H2,(H,11,12)
(3)InChIKey: ZZGXLZYBHQFPQV-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C9H8FNO/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-3H,4-5H2,(H,11,12)
(5)Std. InChIKey: ZZGXLZYBHQFPQV-UHFFFAOYSA-N

Product Name

5-FLOUORO-3,4-DIHYDRO-1(2H)-ISOQUINOLINONE

1(2H)-Isoquinolinone,5-fluoro-3,4-dihydro- Specification

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