Basic information
- Name:
Quinoline, 4-chloro-6-iodo-
- Superlist Name:
- 4-Chloro-6-iodoquinoline
- CAS No.:
40107-07-1
- Molecular Structure:
- Formula:
- C9H5ClIN
- Molecular Weight:
- 289.5
- Synonyms:
- 4-Chloro-6-iodoquinoline;
- Density:
- 1.919 g/cm3
- Boiling Point:
- 338.4 °C at 760 mmHg
- Flash Point:
- 158.4 °C
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Specification
The Quinoline, 4-chloro-6-iodo- is an organic compound with the formula C9H5ClIN. The IUPAC name of this chemical is 4-chloro-6-iodoquinoline. With the CAS registry number 40107-07-1, it is also named as 4-Chloro-6-iodo-quinoline. The product's category is Chiral chemicals.
Physical properties about Quinoline, 4-chloro-6-iodo- are: (1)ACD/LogP: 3.81; (2)ACD/LogD (pH 5.5): 3.81; (3)ACD/LogD (pH 7.4): 3.81; (4)ACD/BCF (pH 5.5): 462.66; (5)ACD/BCF (pH 7.4): 463.59; (6)ACD/KOC (pH 5.5): 2812.87; (7)ACD/KOC (pH 7.4): 2818.52; (8)#H bond acceptors: 1; (9)Polar Surface Area: 12.89 Å2; (10)Index of Refraction: 1.726; (11)Molar Refractivity: 59.98 cm3; (12)Molar Volume: 150.7 cm3; (13)Polarizability: 23.78×10-24cm3; (14)Surface Tension: 58.3 dyne/cm; (15)Density: 1.919 g/cm3; (16)Flash Point: 158.4 °C; (17)Enthalpy of Vaporization: 55.87 kJ/mol; (18)Boiling Point: 338.4 °C at 760 mmHg; (19)Vapour Pressure: 0.000193 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccc2nccc(Cl)c2c1
(2)InChI: InChI=1/C9H5ClIN/c10-8-3-4-12-9-2-1-6(11)5-7(8)9/h1-5H
(3)InChIKey: XPXHGYKMODLJBY-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C9H5ClIN/c10-8-3-4-12-9-2-1-6(11)5-7(8)9/h1-5H
(5)Std. InChIKey: XPXHGYKMODLJBY-UHFFFAOYSA-N