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| CAS No.: | 335-70-6 |
|---|---|
| Name: | 1,8-Diiodoperfluorooctane |
| Molecular Structure: | |
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|
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| Formula: | C8F16I2 |
| Molecular Weight: | 653.871 |
| Synonyms: | Octane,hexadecafluoro-1,8-diiodo- (8CI);1,8-Diiodohexadecafluorooctane;1,8-Diiodoperfluorooctane;a,w-Diiodoperfluorooctane; |
| Density: | 2.287g/cm3 |
| Melting Point: | 73-77 °C(lit.) |
| Boiling Point: | 222 °C at 760 mmHg |
| Flash Point: | 98.5 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 36 |
| PSA: | 0.00000 |
| LogP: | 6.85380 |
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Specification
The 1,8-Diiodoperfluorooctane, with CAS registry number of 335-70-6, belongs to the following product categories: (1)Alkyl; (2)Halogenated Hydrocarbons; (3)Organic Building Blocks. It has the systematic name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-1,8-diiodooctane.
Physical properties about this chemical are: (1)ACD/LogP: 10.56; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 10.56; (4)ACD/LogD (pH 7.4): 10.56; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.387; (14)Molar Refractivity: 67.39 cm3; (15)Molar Volume: 285.7 cm3; (16)Polarizability: 26.71×10-24cm3; (17)Surface Tension: 20.9 dyne/cm; (18)Enthalpy of Vaporization: 43.98 kJ/mol; (19)Vapour Pressure: 0.155 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 1,8-Diiodoperfluorooctane 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: FC(F)(C(F)(F)C(F)(F)I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I
(2)InChI: InChI=1/C8F16I2/c9-1(10,3(13,14)5(17,18)7(21,22)25)2(11,12)4(15,16)6(19,20)8(23,24)26
(3)InChIKey: SRDQTCUHAMDAMG-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C8F16I2/c9-1(10,3(13,14)5(17,18)7(21,22)25)2(11,12)4(15,16)6(19,20)8(23,24)26
(5)Std. InChIKey: SRDQTCUHAMDAMG-UHFFFAOYSA-N