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CAS No.: | 22200-50-6 |
---|---|
Name: | 7-IODO-4-CHLOROQUINOLINE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C9H5ClIN |
Molecular Weight: | 289.503 |
Synonyms: | 4-Chloro-7-iodoquinoline; |
Density: | 1.92 g/cm3 |
Melting Point: | 101-102 °C |
Boiling Point: | 338.368 °C at 760 mmHg |
Flash Point: | 158.439 °C |
PSA: | 12.89000 |
LogP: | 3.49280 |
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The CAS register number of Quinoline,4-chloro-7-iodo- is 22200-50-6. It also can be called as 7-Iodo-4-chloroquinoline and the systematic name about this chemical is 4-chloro-7-iodoquinoline. The molecular formula about this chemical is C9H5ClIN and the molecular weight is 289.5.
Physical properties about Quinoline,4-chloro-7-iodo- are: (1)ACD/LogP: 4.89; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 463; (5)ACD/BCF (pH 7.4): 464; (6)ACD/KOC (pH 5.5): 2818; (7)ACD/KOC (pH 7.4): 2819; (8)#H bond acceptors: 1; (9)Polar Surface Area: 12.89 Å2; (10)Index of Refraction: 1.727; (11)Molar Refractivity: 59.988 cm3; (12)Molar Volume: 150.797 cm3; (13)Polarizability: 23.781x10-24cm3; (14)Surface Tension: 58.326 dyne/cm; (15)Density: 1.92 g/cm3; (16)Flash Point: 158.439 °C; (17)Enthalpy of Vaporization: 55.867 kJ/mol; (18)Boiling Point: 338.368 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1cc2nccc(Cl)c2cc1
(2)InChI: InChI=1/C9H5ClIN/c10-8-3-4-12-9-5-6(11)1-2-7(8)9/h1-5H
(3)InChIKey: JKZGHMPCBJVWEL-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C9H5ClIN/c10-8-3-4-12-9-5-6(11)1-2-7(8)9/h1-5H
(5)Std. InChIKey: JKZGHMPCBJVWEL-UHFFFAOYSA-N