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CAS No.: | 68211-15-4 |
---|---|
Name: | 6-bromo-4-chlorocinnoline |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C8H4BrClN2 |
Molecular Weight: | 243.49 |
Synonyms: | 6-Bromo-4-chlorocinnoline; |
Density: | 1.763 g/cm3 |
Melting Point: | 127-128℃ |
Boiling Point: | 214.417 °C at 760 mmHg |
Flash Point: | 83.477 °C |
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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