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| CAS No.: | 91-39-4 |
|---|---|
| Name: | 2-Nitro 4' Chloro Diphenyl Ether |
| Molecular Structure: | |
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| Formula: | C12H8ClNO3 |
| Molecular Weight: | 249.653 |
| Synonyms: | Ether,4-chloro-2-nitrophenyl phenyl (8CI);4-Chloro-2-nitro-1-phenoxybenzene;4-Chloro-2-nitrodiphenyl ether;4-Chloro-2-nitrophenyl phenyl ether; |
| Density: | 1.358 g/cm3 |
| Melting Point: | 36-37 ºC |
| Boiling Point: | 334.5 °C at 760 mmHg |
| Flash Point: | 156.1 °C |
| PSA: | 55.05000 |
| LogP: | 4.56370 |
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- Total:31 Page 1 of 1 1
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Specification
The Benzene,4-chloro-2-nitro-1-phenoxy-, with the CAS registry number 91-39-4, is also known as 4-Chloro-2-nitrodiphenyl ether. This chemical's molecular formula is C12H8ClNO3 and formula weight is 249.65. What's more, its IUPAC name is 4-chloro-2-nitro-1-phenoxybenzene.
Physical properties of Benzene,4-chloro-2-nitro-1-phenoxy- are: (1)ACD/LogP: 4.31; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 55.05 Å2; (7)Index of Refraction: 1.614; (8)Molar Refractivity: 64.13 cm3; (9)Molar Volume: 183.8 cm3; (10)Surface Tension: 50.3 dyne/cm; (11)Density: 1.358 g/cm3; (12)Flash Point: 156.1 °C; (13)Enthalpy of Vaporization: 55.46 kJ/mol; (14)Boiling Point: 334.5 °C at 760 mmHg; (15)Vapour Pressure: 0.000247 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-]
(2)InChI: InChI=1S/C12H8ClNO3/c13-9-6-7-12(11(8-9)14(15)16)17-10-4-2-1-3-5-10/h1-8H
(3)InChIKey: OJESLZHZRVDKCA-UHFFFAOYSA-N