Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
8-Bromoquinolin-2(1H)-one |
EINECS | N/A |
CAS No. | 67805-67-8 | Density | 1.62g/cm3 |
PSA | 32.86000 | LogP | 2.29060 |
Solubility | N/A | Melting Point |
196-198 °C |
Formula | C9H6BrNO | Boiling Point | 390.243 °C at 760 mmHg |
Molecular Weight | 224.05404 | Flash Point | 189.813 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
8-BROMOQUINOLIN-2(1H)-ONE;8-bromoquinolin-2-ol;8-Bromo-2-hydroxyquinoline;8-Bromo-1,2-dihydro-2-oxoquinoline;8-Bromo-1,2-dihydroquinolin-2-one;8-Bromoquinolin-2(1H)-one 98%;8-BroMoquinoline-2(1h)-one;8-Bromo-1H-quinolin-2-one |
Article Data | 17 |
The 8-Bromoquinolin-2(1H)-one, with cas registry number 67805-67-8, has the systematic name of 8-bromoquinolin-2(1H)-one. And its IUPAC name is 8-bromo-1H-quinolin-2-one.
Physical properties about this chemical are: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 20; (6)ACD/BCF (pH 7.4): 20; (7)ACD/KOC (pH 5.5): 294; (8)ACD/KOC (pH 7.4): 294; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.1 Å2; (13)Index of Refraction: 1.63; (14)Molar Refractivity: 49.2 cm3; (15)Molar Volume: 138.272 cm3; (16)Polarizability: 19.504×10-24cm3; (17)Surface Tension: 48.348 dyne/cm; (18)Enthalpy of Vaporization: 63.969 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cccc\2c1NC(=O)/C=C/2
(2)InChI: InChI=1/C9H6BrNO/c10-7-3-1-2-6-4-5-8(12)11-9(6)7/h1-5H,(H,11,12)
(3)InChIKey: HGJBIJWBYATVQY-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C9H6BrNO/c10-7-3-1-2-6-4-5-8(12)11-9(6)7/h1-5H,(H,11,12)
(5)Std. InChIKey: HGJBIJWBYATVQY-UHFFFAOYSA-N