-
Name
Isocarbostyril
- EINECS 207-732-1
- CAS No. 491-30-5
- Article Data82
- CAS DataBase
- Density 1.189 g/cm3
- Solubility
- Melting Point 212-216 °C
- Formula C9H7NO
- Boiling Point 376.252 °C at 760 mmHg
- Molecular Weight 145.161
- Flash Point 218.788 °C
- Transport Information
- Appearance Yellow solid
- Safety 22-24/25
- Risk Codes 36/37/38
-
Molecular Structure
- Hazard Symbols
- Synonyms Isocarbostyril(6CI,7CI,8CI);1(2H)-Isoquinolone;1-Hydroxyisoquinoline;1-Isoquinolinol;1-Oxo-1,2-dihydroisoquinoline;2(1H)-Isoquinolinone;NSC27273;
- PSA 33.12000
- LogP 1.94040
Isocarbostyril Chemical Properties
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
Isocarbostyril Safety Profile
Safety Statements: 22-24/25
S22:Do not breathe dust
S24/25:Avoid contact with skin and eyes
WGK Germany: 3
Isocarbostyril Specification
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) .
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