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Basic Information
CAS No.: 685-24-5
Name: 1,1,1,4,4,4-HEXAFLUOROBUTANE-2,3-DIONE
Article Data: 2
Molecular Structure:
Molecular Structure of 685-24-5 (1,1,1,4,4,4-HEXAFLUOROBUTANE-2,3-DIONE)
Formula: C4F6O2
Molecular Weight: 194.033
Synonyms: 2,3-Butanedione,hexafluoro- (7CI);Hexafluoro-2,3-butanedione;Hexafluorobiacetyl;Hexafluorodiacetyl;Perfluorobiacetyl;
EINECS: 673-810-0
Density: 1.595 g/cm3
Boiling Point: 20 °C
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 34.14000
LogP: 1.24920
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Specification

This chemical is called 2,3-Butanedione,1,1,1,4,4,4-hexafluoro-, and its systematic name is 1,1,1,4,4,4-Hexafluorobutane-2,3-dione. With the molecular formula of C4F6O2, its molecular weight is 194.03. The CAS registry number of the chemical is 685-24-5.

Other characteristics of 2,3-Butanedione,1,1,1,4,4,4-hexafluoro- can be summarised as followings: (1)ACD/LogP: 2.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.65; (4)ACD/LogD (pH 7.4): 2.65; (5)ACD/BCF (pH 5.5): 60.6; (6)ACD/BCF (pH 7.4): 60.6; (7)ACD/KOC (pH 5.5): 656.92; (8)ACD/KOC (pH 7.4): 656.92; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 34.14 Å2; (13)Index of Refraction: 1.283; (14)Molar Refractivity: 21.55 cm3; (15)Molar Volume: 121.5 cm3; (16)Polarizability: 8.54×10-24cm3; (17)Surface Tension: 17.4 dyne/cm; (18)Density: 1.595 g/cm3; (19)Enthalpy of Vaporization: 24.48 kJ/mol; (20)Vapour Pressure: 2280 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. Wear suitable protective clothing, gloves and eye/face protection when you use it. In case of contacting 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)(F)C(=O)C(=O)C(F)(F)F
2.InChI: InChI=1/C4F6O2/c5-3(6,7)1(11)2(12)4(8,9)10
3.InChIKey: ZMIDKLPSOSQFSX-UHFFFAOYAX
4.Std. InChI: InChI=1S/C4F6O2/c5-3(6,7)1(11)2(12)4(8,9)10
5.Std. InChIKey: ZMIDKLPSOSQFSX-UHFFFAOYSA-N