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6-Chloro-5-nitroquinoline

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Name

6-Chloro-5-nitroquinoline

EINECS N/A
CAS No. 86984-32-9 Density 1.484 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C9H5ClN2O2 Boiling Point 356.7 °C at 760 mmHg
Molecular Weight 208.60100 Flash Point 169.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 86984-32-9 (6-CHLORO-5-NITROQUINOLINE) Hazard Symbols N/A
Synonyms

5-Nitro-6-chloroquinoline;6-Chloro-5-nitroquinoline;quinoline, 6-chloro-5-nitro-;

Article Data 11

6-Chloro-5-nitroquinoline Specification

The 6-Chloro-5-nitroquinoline, with the cas registry number 86984-32-9, is also called 5-Nitro-6-chloroquinoline. And the molecular formula of the chemical is C9H5ClN2O2.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.3; (4)ACD/LogD (pH 7.4): 2.3; (5)ACD/BCF (pH 5.5): 32.84; (6)ACD/BCF (pH 7.4): 32.85; (7)ACD/KOC (pH 5.5): 423.63; (8)ACD/KOC (pH 7.4): 423.77; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.71 Å2; (13)Index of Refraction: 1.688; (14)Molar Refractivity: 53.62 cm3; (15)Molar Volume: 140.5 cm3; (16)Polarizability: 21.25×10-24cm3; (17)Surface Tension: 63.3 dyne/cm; (18)Density: 1.484 g/cm3; (19)Flash Point: 169.5 °C; (20)Enthalpy of Vaporization: 57.83 kJ/mol; (21)Boiling Point: 356.7 °C at 760 mmHg; (22)Vapour Pressure: 5.9E-05 mmHg at 25°C.

Uses of 6-Chloro-5-nitroquinoline: It can react with methylhydrazine to produce 2-methyl-2H-[1,2,3]triazolo[4,5-f]quinoline 1-oxide and 3-methyl-3H-[1,2,3]triazolo[4,5-f]quinoline 1-oxide. This reaction will need menstruum ethanol. The reaction time is 4 hour with temperature of 160°C, and the yield is about 8%.   

 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][N+](=O)c1c(Cl)ccc2ncccc12
(2)InChI: InChI=1/C9H5ClN2O2/c10-7-3-4-8-6(2-1-5-11-8)9(7)12(13)14/h1-5H
(3)InChIKey: GIMHFTJFCRTQRS-UHFFFAOYAH

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