Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Chloro-1-methoxyisoquinoline |
EINECS | N/A |
CAS No. | 24649-22-7 | Density | 1.267 g/cm3 |
PSA | 22.12000 | LogP | 2.89680 |
Solubility | N/A | Melting Point |
67-72°C |
Formula | C10H8ClNO | Boiling Point | 309.4 °C at 760 mmHg |
Molecular Weight | 193.633 | Flash Point | 140.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36-45 | Risk Codes | 25-41 |
Molecular Structure | Hazard Symbols | T | |
Synonyms |
Isoquinoline, 3-chloro-1-methoxy-; |
Article Data | 5 |
The 3-Chloro-1-methoxyisoquinoline, with the CAS registry number 24649-22-7, is also known as Isoquinoline, 3-chloro-1-methoxy-. This chemical's molecular formula is C10H8ClNO and molecular weight is 193.6296. What's more, its IUPAC name is 3-Chloro-1-methoxyisoquinoline.
Physical properties about 3-Chloro-1-methoxyisoquinoline are: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.46; (4)ACD/LogD (pH 7.4): 3.46; (5)ACD/BCF (pH 5.5): 249.81; (6)ACD/BCF (pH 7.4): 249.81; (7)ACD/KOC (pH 5.5): 1810.55; (8)ACD/KOC (pH 7.4): 1810.55; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 53.76 cm3; (15)Molar Volume: 152.7 cm3; (16)Polarizability: 21.31×10-24 cm3; (17)Surface Tension: 46 dyne/cm; (18)Density: 1.267 g/cm3; (19)Flash Point: 140.9 °C; (20)Enthalpy of Vaporization: 52.83 kJ/mol; (21)Boiling Point: 309.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00116 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: COc2nc(Cl)cc1ccccc12
(2) InChI: InChI=1/C10H8ClNO/c1-13-10-8-5-3-2-4-7(8)6-9(11)12-10/h2-6H,1H3
(3) InChIKey: SNAJJTHVSPRNKF-UHFFFAOYAX