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21917-88-4

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Basic Information
CAS No.: 21917-88-4
Name: 6,7-DIHYDRO-5H-ISOQUINOLIN-8-ONE
Article Data: 13
Molecular Structure:
Molecular Structure of 21917-88-4 (6,7-DIHYDRO-5H-ISOQUINOLIN-8-ONE)
Formula: C9H9NO
Molecular Weight: 147.177
Synonyms: 8(5H)-Isoquinolone,6,7-dihydro- (8CI);5,6-Dihydroisoquinolin-8(7H)-one;5,6-Dihydro-7H-isoquinolin-8-one;
Density: 1.168 g/cm3
Melting Point: 42-44 °C
Boiling Point: 266.169 °C at 760 mmHg
Flash Point: 121.849 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 29.96000
LogP: 1.60060
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Chemistry

Molecular Structure of 6,7-Dihydro-5H-isoquinolin-8-one (CAS NO.21917-88-4):

Systematic Name: 6,7-Dihydroisoquinolin-8(5H)-one 
Molecular Formula: C9H9NO
Molecular Weight: 147.17 
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 0
Nominal Mass: 147
Average Mass: 147.1739
Monoisotopic Mass: 147.068414
Index of Refraction: 1.569
Molar Refractivity: 41.261 cm3
Molar Volume: 125.984 cm3
Surface Tension: 48.994 dyne/cm
Density: 1.168 g/cm3
Flash Point: 121.849 °C
Enthalpy of Vaporization: 50.413 kJ/mol
Boiling Point: 266.169 °C at 760 mmHg
Vapour Pressure: 0.009 mmHg at 25 °C
Product Categories: Isoquinoline Derivertives
SMILES: O=C2c1c(ccnc1)CCC2
InChI: InChI=1/C9H9NO/c11-9-3-1-2-7-4-5-10-6-8(7)9/h4-6H,1-3H2
InChIKey: WFZAOWUFFCIBNP-UHFFFAOYAI

Specification

 6,7-Dihydro-5H-isoquinolin-8-one (CAS NO.21917-88-4), its Synonyms are 8(5H)-Isoquinolone,6,7-dihydro- (8CI) ; 5,6-Dihydro-7H-isoquinolin-8-one ; 5,6-Dihydroisoquinolin-8(7H)-one ; 8(5H)-Isoquinolinone,6,7-dihydro- .