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Perfluorohexanoic Acid (>90%)

CAT: 0572-TRC-P286525-25GSize: 25 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-P286525-25GSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
307-24-4
Synonyms
PFHxA; Hexanoic acid, undecafluoro- (6CI,7CI,8CI,9CI); 2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexanoic acid; NSC 5213; PFHxA; Perfluoro-1-pentanecarboxylic acid; Perfluorohexanoic acid; PFC
Hazard Statement
Causes severe skin burns and eye damage; UN number: UN3265; Packing Group: II
Smiles
OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Molecular Formula
C6 H F11 O2
Molecular Weight
314.05
InChI
InChI=1S/C6HF11O2/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h(H,18,19)
Additionnal Information
IUPAC name: 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Perfluorohexanoic Acid

Perfluorohexanoic acid is a monocarboxylic acid that is perfluorinated hexanoic acid. It has a role as a xenobiotic and an environmental contaminant. It is functionally related to a hexanoic acid.

CAS Number307-24-4
PubChem CID67542
IUPAC Name2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoic acid
Molecular FormulaC6HF11O2
Molecular Weight314.05
XLogP3.6
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity368
SMILES
C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C6HF11O2/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h(H,18,19)
InChIKey
PXUULQAPEKKVAH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Perfluorohexanoic Acid
CAS: 307-24-4
CID: 67542
Formula: C6HF11O2
MW: 314.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.05
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count4
Exact Mass313.98008905
Monoisotopic Mass313.98008905
Topological Polar Surface Area37.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity368
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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