Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Cinnoline, 6-bromo-4-chloro- |
EINECS | N/A |
CAS No. | 68211-15-4 | Density | 1.763 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
127-128℃ |
Formula | C8H4BrClN2 | Boiling Point | 214.417 °C at 760 mmHg |
Molecular Weight | 243.49 | Flash Point | 83.477 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
6-Bromo-4-chlorocinnoline; |
Article Data | 12 |
The CAS register number of Cinnoline, 6-bromo-4-chloro- is 68211-15-4. The systematic name about this chemical is 6-bromo-4-chlorocinnoline. The molecular formula about this chemical is C8H4BrClN2 and the molecular weight is 243.4878.
Physical properties about Cinnoline, 6-bromo-4-chloro- are: (1)ACD/LogP: 2.74; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 71; (5)ACD/BCF (pH 7.4): 71; (6)ACD/KOC (pH 5.5): 733; (7)ACD/KOC (pH 7.4): 733; (8)#H bond acceptors: 2; (9)Polar Surface Area: 25.78 Å2; (10)Index of Refraction: 1.691; (11)Molar Refractivity: 52.863 cm3; (12)Molar Volume: 138.132 cm3; (13)Polarizability: 20.957x10-24cm3; (14)Surface Tension: 60.83 dyne/cm; (15)Density: 1.763 g/cm3; (16)Flash Point: 83.477 °C; (17)Enthalpy of Vaporization: 43.238 kJ/mol; (18)Boiling Point: 214.417 °C at 760 mmHg; (19)Vapour Pressure: 0.228 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Br)c(cnn2)Cl
(2)InChI: InChI=1/C8H4BrClN2/c9-5-1-2-8-6(3-5)7(10)4-11-12-8/h1-4H
(3)InChIKey: WAKDQKOZUBTOEX-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C8H4BrClN2/c9-5-1-2-8-6(3-5)7(10)4-11-12-8/h1-4H
(5)Std. InChIKey: WAKDQKOZUBTOEX-UHFFFAOYSA-N