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CAS No.: | 2708-97-6 |
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Name: | 1,2-Diiodotetrafluorobenzene |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C6F4I2 |
Molecular Weight: | 401.869 |
Synonyms: | 1,2,3,4-Tetrafluoro-5,6-diiodobenzene;1,2,3,4-tetrafluoro-5,6-diiodo-benzene;Benzene, 1,2,3,4-tetrafluoro-5,6-diiodo-; |
EINECS: | 220-303-3 |
Density: | 2.671 g/cm3 |
Melting Point: | 49-50 °C(lit.) |
Boiling Point: | 232.6 °C at 760 mmHg |
Flash Point: | 93.2 °C |
Appearance: | white to off-white powder, crystals crystalline powder and/or chunks |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 0.00000 |
LogP: | 3.45220 |
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The 1,2-Diiodotetrafluorobenzene, with the CAS registry number 2708-97-6 and EINECS registry number 220-303-3, has the systematic name of 1,2,3,4-tetrafluoro-5,6-diiodobenzene. It belongs to the following product categories: Aryl; C6; Halogenated Hydrocarbons. And the molecular formula of the chemical is C6F4I2.
The characteristics of 1,2-Diiodotetrafluorobenzene are as followings: (1)ACD/LogP: 3.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.98; (4)ACD/LogD (pH 7.4): 3.98; (5)ACD/BCF (pH 5.5): 626.04; (6)ACD/BCF (pH 7.4): 626.04; (7)ACD/KOC (pH 5.5): 3494.69; (8)ACD/KOC (pH 7.4): 3494.69; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 52.04 cm3; (15)Molar Volume: 150.4 cm3; (16)Polarizability: 20.63×10-24cm3; (17)Surface Tension: 43.8 dyne/cm; (18)Density: 2.671 g/cm3; (19)Flash Point: 93.2 °C; (20)Enthalpy of Vaporization: 45.02 kJ/mol; (21)Boiling Point: 232.6 °C at 760 mmHg; (22)Vapour Pressure: 0.089 mmHg at 25°C.
Uses of 1,2-Diiodotetrafluorobenzene: It can react be used to produce octafluoro-selenanthrene. This reaction will need reagent selenium powder. The reaction time is 2 days with temperature of 320°C, and the yield is about 90.3%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1c(F)c(F)c(F)c(I)c1I
(2)InChI: InChI=1/C6F4I2/c7-1-2(8)4(10)6(12)5(11)3(1)9
(3)InChIKey: JQBYIZAYQMMVTO-UHFFFAOYAA