Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzene, 1-nitro-2-(phenylmethoxy)- |
EINECS | N/A |
CAS No. | 4560-41-2 | Density | 1.232 g/cm3 |
PSA | 55.05000 | LogP | 3.69700 |
Solubility | N/A | Melting Point |
29 °C |
Formula | C13H11NO3 | Boiling Point | 377.8 °C at 760 mmHg |
Molecular Weight | 229.235 | Flash Point | 170.6 °C |
Transport Information | N/A | Appearance | Light Red Oil |
Safety | 23-24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
1-(Benzyloxy)-2-nitrobenzene;Benzyl 2-nitrophenyl ether;1-Nitro-2-(phenylmethoxy)benzene; |
Article Data | 29 |
The Benzene, 1-nitro-2-(phenylmethoxy)-, with the CAS registry number 4560-41-2, is also known as Benzyl 2-nitrophenyl ether. It belongs to the product categories of Aromatics Compounds; Aromatics; Analytical/Chromatography; Ion Sensor Materials; Plasticizer for ISE. This chemical's molecular formula is C13H11NO3 and molecular weight is 229.23. What's more, its systematic name is 1-(benzyloxy)-2-nitrobenzene.
Physical properties of Benzene, 1-nitro-2-(phenylmethoxy)- are: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 55.05 Å2; (7)Index of Refraction: 1.603; (8)Molar Refractivity: 63.96 cm3; (9)Molar Volume: 185.9 cm3; (10)Polarizability: 25.35×10-24cm3; (11)Surface Tension: 48.8 dyne/cm; (12)Density: 1.232 g/cm3; (13)Flash Point: 170.6 °C; (14)Enthalpy of Vaporization: 60.11 kJ/mol; (15)Boiling Point: 377.8 °C at 760 mmHg; (16)Vapour Pressure: 1.43E-05 mmHg at 25°C.
Preparation of Benzene, 1-nitro-2-(phenylmethoxy)-: this chemical can be prepared by 1-fluoro-2-nitro-benzene and phenylmethanol at the temperature of 110 °C. This reaction will need reagents K2CO3, 4 Angstroem molecular sieves and solvent dimethylformamide with the reaction time of 24 hours. The yield is about 97%.
Uses of Benzene, 1-nitro-2-(phenylmethoxy)-: it can be used to produce 2-benzyloxy-aniline at the temperature of 5 °C. It will need reagents conc. HCl, Zn powder and solvents H2O, acetic acid with the reaction time of 5 hours. The yield is about 76.9%.
When you are using this chemical, please be cautious about it as the following:
You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). When using it, you must avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ccccc2OCc1ccccc1
(2)InChI: InChI=1S/C13H11NO3/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-9H,10H2
(3)InChIKey: ZYWSXGRMDPBISP-UHFFFAOYSA-N