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(Hydroxymethyl)pentafluorobenzene

CAT: 0572-TRC-H941003-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-H941003-1GSize:1 g
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CAS Number
440-60-8
Synonyms
(Hydroxymethyl)pentafluorobenzene; 2,3,4,5,6-Pentafluorobenzyl Alcohol;(Pentafluorophenyl)methanol; Pentafluorobenzyl Alcohol; 2,3,4,5,6-pentafluoro-Benzenemethanol
Hazard Statement
Harmful if swallowed.
Smiles
OCc1c(F)c(F)c(F)c(F)c1F
Molecular Formula
C7H3F5O
Molecular Weight
198.09
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2,3,4,5,6-Pentafluorobenzyl Alcohol

2,3,4,5,6-pentafluorobenzyl alcohol is an organofluorine compound that is benzyl alcohol substituted by fluoro groups at positions 2, 3, 4, 5 and 6. It is a member of benzyl alcohols and an organofluorine compound.

CAS Number440-60-8
PubChem CID9923
IUPAC Name(2,3,4,5,6-pentafluorophenyl)methanol
Molecular FormulaC7H3F5O
Molecular Weight198.09
XLogP1.5
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity162
SMILES
C(C1=C(C(=C(C(=C1F)F)F)F)F)O
InChI
InChI=1S/C7H3F5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2
InChIKey
PGJYYCIOYBZTPU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3,4,5,6-Pentafluorobenzyl Alcohol
CAS: 440-60-8
CID: 9923
Formula: C7H3F5O
MW: 198.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.09
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass198.01040553
Monoisotopic Mass198.01040553
Topological Polar Surface Area20.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity162
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
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267087-01[Bis (trifluoroacetoxy) iodo]pentafluorobenzene
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