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Hexane,1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodo- (375-80-4)

Identification
Name:Hexane,1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodo-
Synonyms:Hexane,dodecafluoro-1,6-diiodo- (7CI,8CI);1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-1,6-diiodohexane;1,6-Diiodododecafluorohexane;1,6-Diiodoperfluorohexane;Dodecafluoro-1,6-diiodohexane;a,w-Diiodoperfluorohexane;
CAS:375-80-4
EINECS: 206-794-7
Molecular Formula: C6F12I2
Molecular Weight: 553.85
InChI: InChI=1/C6F12I2/c7-1(8,3(11,12)5(15,16)19)2(9,10)4(13,14)6(17,18)20
Molecular Structure: (C6F12I2) Hexane,dodecafluoro-1,6-diiodo- (7CI,8CI);1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-1,6-diiodohexane;1,6-...
Properties
Melting Point: 25-30 °C(lit.)
Flash Point: 77.9°C
Boiling Point: 173-174 °C(lit.)
Density:2.357
Refractive index:1.398
Specification:

The 1,6-Diiodododecafluorohexane with the cas number 375-80-4 is also called Hexane,1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodo-. Both the systematic name and IUPAC name are 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane. Its EINECS registry number is 206-794-7. The molecular formula is C6F12I2. This chemical belongs to the following product categories: (1)Fluorous Chemistry; (2)Fluorous Compounds; (3)Synthetic Organic Chemistry.

The properties of the chemical are: (1)ACD/LogP: 8.78; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 8.78; (4)ACD/LogD (pH 7.4): 8.78; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1428008.5; (8)ACD/KOC (pH 7.4): 1428008.5; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.412; (14)Molar Refractivity: 57.54 cm3; (15)Molar Volume: 230.8 cm3; (16)Polarizability: 22.81×10-24cm3; (17)Surface Tension: 22.6 dyne/cm; (18)Enthalpy of Vaporization: 40.44 kJ/mol; (19)Vapour Pressure: 0.956 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is harmful by inhalation, in contact with skin and if swallowed. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should 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)I
(2)InChI: InChI=1/C6F12I2/c7-1(8,3(11,12)5(15,16)19)2(9,10)4(13,14)6(17,18)20
(3)InChIKey: JOQDDLBOAIKFQX-UHFFFAOYAG

Flash Point: 77.9°C
Sensitive: Light Sensitive
Safety Data
Hazard Symbols T: Toxic Xi: Irritant
 

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