Products Categories
CAS No.: | 56241-09-9 |
---|---|
Name: | 4-Chloro-1(2H)-isoquinolone |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C9H6ClNO |
Molecular Weight: | 179.606 |
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 |
Density: | 1.38 g/cm3 |
Melting Point: | 235-237 °C (DEC) |
Boiling Point: | 394.2 °C at 760 mmHg |
Flash Point: | 192.2 °C |
PSA: | 32.86000 |
LogP: | 2.18150 |
What can I do for you?
Get Best Price
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