4-Chloro-1(2H)-isoquinolinone supplier

Name
4-Chloro-1(2H)-isoquinolone
EINECS
CAS No. 56241-09-9
Article Data9
CAS DataBase
Density 1.38 g/cm³
Solubility
Melting Point 235-237 °C (DEC)
Formula C₉H₆ClNO
Boiling Point 394.2 °C at 760 mmHg
Molecular Weight 179.606
Flash Point 192.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-CHLOROISOCARBOSTYRIL;4-CHLOROISOQUINOLIN-1(2H)-ONE;4-CHLORO-1(2H)-ISOQUINOLONE;4-CHLORO-1-HYDROXYISOQUINOLINE;4-Chloro-1-(2H)isoquinoline;4-Chloro-1(2H)-isoquinolinone;4-chloroisoquinolin-1-ol;4-Chloro-2H-isoquinolin-1-one
PSA 32.86000
LogP 2.18150

4-Chloro-1(2H)-isoquinolinone Specification

The 4-Chloro-1(2H)-isoquinolone is an organic compound with the formula C₉H₆ClNO. The IUPAC name of this chemical is 4-chloro-2H-isoquinolin-1-one. With the CAS registry number 56241-09-9, it is also named as 1(2H)-isoquinolinone, 4-chloro-.

Physical properties about 4-Chloro-1(2H)-isoquinolone are: (1)ACD/LogP: 1.33; (2)ACD/LogD (pH 5.5): 1.33; (3)ACD/LogD (pH 7.4): 1.33; (4)ACD/BCF (pH 5.5): 5.99; (5)ACD/BCF (pH 7.4): 5.99; (6)ACD/KOC (pH 5.5): 125.37; (7)ACD/KOC (pH 7.4): 125.36; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 20.31 Å²; (11)Index of Refraction: 1.641; (12)Molar Refractivity: 46.87 cm³; (13)Molar Volume: 129.8 cm³; (14)Polarizability: 18.58×10^-24cm³; (15)Surface Tension: 52.1 dyne/cm; (16)Density: 1.38 g/cm³; (17)Flash Point: 192.2 °C; (18)Enthalpy of Vaporization: 64.41 kJ/mol; (19)Boiling Point: 394.2 °C at 760 mmHg; (20)Vapour Pressure: 2.02E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl/C1=C/NC(=O)c2ccccc12
(2)InChI: InChI=1/C9H6ClNO/c10-8-5-11-9(12)7-4-2-1-3-6(7)8/h1-5H,(H,11,12)
(3)InChIKey: MVWIXKFNHOXLBU-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C9H6ClNO/c10-8-5-11-9(12)7-4-2-1-3-6(7)8/h1-5H,(H,11,12)
(5)Std. InChIKey: MVWIXKFNHOXLBU-UHFFFAOYSA-N

Product Name

4-Chloro-1(2H)-isoquinolone

4-Chloro-1(2H)-isoquinolinone Specification

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