4-Nitrobenzo-15-crown-5

The 4-Nitrobenzo-15-crown-5, with CAS registry number 60835-69-0, belongs to the following product categories: (1)Crown Ethers; (2)Functional Materials; (3)Macrocycles for Host-Guest Chemistry; (4)Chelation/Complexation Compounds; (5)Crown Ethers; (6)Synthetic Reagents. It has the systematic name of 15-nitro-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine. This chemical is a kind of light yellow granular powder.

Physical properties of 4-Nitrobenzo-15-crown-5: (1)ACD/LogP: 0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.85; (4)ACD/LogD (pH 7.4): 0.85; (5)ACD/BCF (pH 5.5): 2.59; (6)ACD/BCF (pH 7.4): 2.59; (7)ACD/KOC (pH 5.5): 68.85; (8)ACD/KOC (pH 7.4): 68.85; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 91.97 Å²; (13)Index of Refraction: 1.49; (14)Molar Refractivity: 76.05 cm³; (15)Molar Volume: 262.9 cm³; (16)Polarizability: 30.15×10^-24cm³; (17)Surface Tension: 42.7 dyne/cm; (18)Density: 1.191 g/cm³; (19)Flash Point: 199 °C; (20)Enthalpy of Vaporization: 70.22 kJ/mol; (21)Boiling Point: 468 °C at 760 mmHg; (22)Vapour Pressure: 1.74E-08 mmHg at 25°C.

Preparation: this chemical can be prepared by crown ether/benzo-15-crown-5. This reaction will need reagent HNO₃ and solvent acetic acid.

Uses of4-Nitrobenzo-15-crown-5: it can be used to produce 4'-aminobenzo-15-crown-5. This reaction will need reagent hydrogen.

When you are using this chemical, please be cautious about it as the following:
The 4-Nitrobenzo-15-crown-5 irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
(1)SMILES: [O-][N+](=O)c2ccc1OCCOCCOCCOCCOc1c2
(2)InChI: InChI=1/C14H19NO7/c16-15(17)12-1-2-13-14(11-12)22-10-8-20-6-4-18-3-5-19-7-9-21-13/h1-2,11H,3-10H2
(3)InChIKey: XIWRBQVYCZCEPG-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C14H19NO7/c16-15(17)12-1-2-13-14(11-12)22-10-8-20-6-4-18-3-5-19-7-9-21-13/h1-2,11H,3-10H2
(5)Std. InChIKey: XIWRBQVYCZCEPG-UHFFFAOYSA-N