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13171-18-1

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Basic Information
CAS No.: 13171-18-1
Name: Hexafluoroisopropyl methyl ether
Article Data: 4
Molecular Structure:
Molecular Structure of 13171-18-1 (Hexafluoroisopropyl methyl ether)
Formula: C4H4 F6 O
Molecular Weight: 182.066
Synonyms: Ether,methyl 2,2,2-trifluoro-1-(trifluoromethyl)ethyl (8CI);1,1,1,3,3,3-Hexafluoroisopropyl methyl ether; 1-Methoxy-1-trifluoromethyl-2,2,2-trifluoroethane;356mmzEbg; Bis(trifluoromethyl)methylmethyl ether; Hexafluoroisopropyl methyl ether; Iso-flurothyl; Isoindoklon
Density: 1.357 g/cm3
Boiling Point: 34.6 °C at 760 mmHg
Flash Point: -12.381°C
Hazard Symbols: Xi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 9.23000
LogP: 2.12600
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  • 1,1,1,2,3,3-hexafluoro-2-methoxypropane

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Chemistry

Molecule structure of Propane,1,1,1,3,3,3-hexafluoro-2-methoxy- (CAS NO.13171-18-1):

IUPAC Name: 1,1,1,3,3,3-Hexafluoro-2-methoxypropane
Molecular Weight: 182.064379 [g/mol]
Molecular Formula: C4H4F6O
XLogP3-AA: 2.4
H-Bond Acceptor: 7
Rotatable Bond Count: 1
Exact Mass: 182.016634
MonoIsotopic Mass: 182.016634
Topological Polar Surface Area: 9.2
Heavy Atom Count: 11
Complexity: 110
Index of Refraction: 1.275
Molar Refractivity: 23.19 cm3
Molar Volume: 134 cm3
Surface Tension: 13.2 dyne/cm
Density: 1.357 g/cm3
Enthalpy of Vaporization: 26.82 kJ/mol
Boiling Point: 34.6 °C at 760 mmHg
Vapour Pressure: 537 mmHg at 25 °C 
Canonical SMILES: COC(C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C4H4F6O/c1-11-2(3(5,6)7)4(8,9)10/h2H,1H3
InChIKey: VNXYDFNVQBICRO-UHFFFAOYSA-N
Product Categories: Fluoro series 

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
Hazard Note: Irritant
HazardClass: IRRITANT, GAS 

Specification

 Propane,1,1,1,3,3,3-hexafluoro-2-methoxy- (CAS NO.13171-18-1) is also called Iso-indoklon ; 1,1,1,3,3,3-Hexafluoro-2-methoxypropane ; BRN 2324008 ; Hexafluoropropyl methyl ether ; Isoindoklon ; Ether, methyl 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ; Propane, 1,1,1,3,3,3-hexafluoro-2-methoxy- (9CI) .  Propane,1,1,1,3,3,3-hexafluoro-2-methoxy- (CAS NO.13171-18-1) is highly toxic. It is flammable by fire. It will produce toxic fluoride fumes when buring. So the storage environment should be ventilate, low-temperature and dry. Keep Propane,1,1,1,3,3,3-hexafluoro-2-methoxy- (CAS NO.13171-18-1) separate from oxidants and food additives.