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CAS No.: | 160455-77-6 |
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Name: | 6-ISOCYANATOQUINOLINE |
Molecular Structure: | |
Formula: | C10H6N2O |
Molecular Weight: | 170.16744 |
Synonyms: | 6-Quinolineisocyanate; |
Density: | 1.18 g/cm3 |
Boiling Point: | 292.1 °C at 760 mmHg |
Flash Point: | 130.5 °C |
PSA: | 42.32000 |
LogP: | 2.20210 |
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The Quinoline,6-isocyanato- is an organic compound with the formula C10H6N2O. The systematic name of this chemical is 6-Isocyanatoquinoline. The CAS registry number of this chemical is 160455-77-6. Besides, its molecular weight is 170.16744.
Physical properties about Quinoline,6-isocyanato- are: (1)ACD/LogP: 2.45; (2)ACD/LogD (pH 5.5): 2.42; (3)ACD/LogD (pH 7.4): 2.45; (4)ACD/BCF (pH 5.5): 39.8; (5)ACD/BCF (pH 7.4): 42.65; (6)ACD/KOC (pH 5.5): 476.63; (7)ACD/KOC (pH 7.4): 510.76; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 42.32 Å2; (11)Index of Refraction: 1.623; (12)Molar Refractivity: 50.49 cm3; (13)Molar Volume: 143.1 cm3; (14)Polarizability: 20.01×10-24 cm3; (15)Surface Tension: 47.5 dyne/cm; (16)Density: 1.18 g/cm3; (17)Flash Point: 130.5 °C; (18)Enthalpy of Vaporization: 53.16 kJ/mol; (19)Boiling Point: 292.1 °C at 760 mmHg; (20)Vapour Pressure: 0.00187 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C10H6N2O/c13-7-12-9-3-4-10-8(6-9)2-1-5-11-10/h1-6H
(2)InChIKey: CERCVSIFSCEXGB-UHFFFAOYAM
(3)Std. InChI: InChI=1S/C10H6N2O/c13-7-12-9-3-4-10-8(6-9)2-1-5-11-10/h1-6H
(4)Std. InChIKey: CERCVSIFSCEXGB-UHFFFAOYSA-N