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CAS No.: | 31106-75-9 |
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Name: | 1,3-Diiodo-2-methoxy-5-nitrobenzene |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C7H5I2NO3 |
Molecular Weight: | 404.931 |
Synonyms: | Anisole,2,6-diiodo-4-nitro- (6CI,8CI);2,6-Diiodo-1-methoxy-4-nitrobenzene;2,6-Diiodo-4-nitroanisole; |
Density: | 2.39 g/cm3 |
Boiling Point: | 421.8 °C at 760 mmHg |
Flash Point: | 208.9 °C |
PSA: | 55.05000 |
LogP: | 3.33580 |
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The 1,3-Diiodo-2-methoxy-5-nitrobenzene with the CAS number 31106-75-9 is also called Benzene,1,3-diiodo-2-methoxy-5-nitro-. Its molecular formula is C7H5I2NO3. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 1,3-Diiodo-2-methoxy-5-nitrobenzene are: (1)ACD/LogP: 3.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.78; (4)ACD/LogD (pH 7.4): 3.78; (5)ACD/BCF (pH 5.5): 440.71; (6)ACD/BCF (pH 7.4): 440.71; (7)ACD/KOC (pH 5.5): 2718.25; (8)ACD/KOC (pH 7.4): 2718.25; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.05 Å2; (13)Index of Refraction: 1.697; (14)Molar Refractivity: 65.29 cm3; (15)Molar Volume: 169.4 cm3; (16)Polarizability: 25.88×10-24cm3; (17)Surface Tension: 59.5 dyne/cm; (18)Enthalpy of Vaporization: 64.96 kJ/mol; (19)Vapour Pressure: 6.23×10-7 mmHg at 25°C.
Preparation: This chemical can be prepared by the reaction of iodomethane and 2,6-diiodo-4-nitro-phenol. This reaction needs reagent K2CO3 and solvent dimethylformamide at temperature of 70 °C. The reaction time is 60 hours. The yield is 42%.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1cc(cc(I)c1OC)[N+]([O-])=O
(2)InChI: InChI=1/C7H5I2NO3/c1-13-7-5(8)2-4(10(11)12)3-6(7)9/h2-3H,1H3
(3)InChIKey: LHCXPILOHPAXIN-UHFFFAOYAQ