1-(Pentafluorophenyl)ethanol
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1-(Pentafluorophenyl)ethanol
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CAS No:
830-50-2
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Formula:
C8H5F5O
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Chemical Name:
1-(Pentafluorophenyl)ethanol
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Synonyms:
Benzenemethanol,2,3,4,5,6-pentafluoro-α-methyl-;Benzyl alcohol,2,3,4,5,6-pentafluoro-α-methyl-;2,3,4,5,6-Pentafluoro-α-methylbenzenemethanol;2,3,4,5,6-Pentafluoro-α-methylbenzyl alcohol;1-(Pentafluorophenyl)ethanol;(±)-1-(Pentafluorophenyl)ethanol;(RS)-α-Methyl-2,3,4,5,6-pentafluorobenzyl alcohol;NSC 97014;1-(2,3,4,5,6-Pentafluorophenyl)ethanol;1-(Pentafluorophenyl)ethan-1-ol;75853-08-6
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CAS No:
Characteristics
20.23000
2.43540
1.498±0.06 g/cm3(Predicted)
34-37ºC
80-82 °C @ Press: 37 Torr
87ºC
1.44
Safety Information
36
26-36
Xi: Irritant;
P210, P240, P241, P264, P280, P305+P351+P338, P337+P313, P37, P378
H228
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 4 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H228 (97.44%): Flammable solid [Danger Flammable solids]|P210, P240, P241, P264, P280, P305+P351+P338, P337+P313, and P370+P378|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:212.12
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:212.02605559
Monoisotopic Mass:212.02605559
Topological Polar Surface Area:20.2
Heavy Atom Count:14
Complexity:186
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes