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CAS No.: | 491-30-5 |
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Name: | Isocarbostyril |
Article Data: | 82 |
Molecular Structure: | |
Formula: | C9H7NO |
Molecular Weight: | 145.161 |
Synonyms: | Isocarbostyril(6CI,7CI,8CI);1(2H)-Isoquinolone;1-Hydroxyisoquinoline;1-Isoquinolinol;1-Oxo-1,2-dihydroisoquinoline;2(1H)-Isoquinolinone;NSC27273; |
EINECS: | 207-732-1 |
Density: | 1.189 g/cm3 |
Melting Point: | 212-216 °C |
Boiling Point: | 376.252 °C at 760 mmHg |
Flash Point: | 218.788 °C |
Appearance: | Yellow solid |
Risk Codes: | 36/37/38 |
Safety: | 22-24/25 |
PSA: | 33.12000 |
LogP: | 1.94040 |
The Molecular Structure of 1(2H)-Isoquinolone (CAS NO.491-30-5):
Empirical Formula: C9H7NO
Molecular Weight: 145.158
Appearance: Yellow Solid
IUPAC: 2H-isoquinolin-1-one
Nominal Mass: 145 Da
Average Mass: 145.158 Da
Monoisotopic Mass: 145.052764 Da
Index of Refraction: 1.595
Molar Refractivity: 41.5 cm3
Molar Volume: 122 cm3
Surface Tension: 43.5 dyne/cm
Density: 1.188 g/cm3
Flash Point: 218.8 °C
Enthalpy of Vaporization: 62.39 kJ/mol
Boiling Point: 376.3 °C at 760 mmHg
Vapour Pressure: 7.34E-06 mmHg at 25°C
Melting Point: 212.5 at 25°C
log P (octanol-water): 1.420 (none) at 25°C
Water Solubility: 476 mg/L at 20°C
Vapor Pressure: 4.47E-05 mm Hg at 25°C
Henry's Law Constant: 1.73E-09 atm-m3/mole at 25°C
Atmospheric OH Rate Constant 4.10E-11 cm3/molecule-sec at 25°C
Product Categories: Quinolines, Quinazolines and derivatives;Heterocyclic Series;Quinoline&Isoquinoline;Aromatics Compounds;Quinolines;Aromatics;Bases & Related Reagents;Heterocycles;Nucleotides
InChI
InChI=1/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11)
Smiles
c12c(c([nH]cc1)=O)cccc2
Safety Statements: 22-24/25
S22:Do not breathe dust
S24/25:Avoid contact with skin and eyes
WGK Germany: 3
1(2H)-Isoquinolone (CAS NO.491-30-5) is also called as Isocarbostyril ; 1-Hydroxyisoquinoline ; 1-Isoquinolinol ; AI3-62131 ; EINECS 207-732-1 ; Isoquinolin-1-one ; NSC 27273 ; Isocarbostyril (VAN) (8CI) .