Perfluorooctanoic Acid

CAT: 0572-TRC-P286500-25GSize: 25 gDry Ice: NoHazardous: Yes

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CAT#:0572-TRC-P286500-25GSize:25 g

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CAS Number

335-67-1

Synonyms

PFOA; PFC; Perfluoro-n-octanoic acid; Octanoic acid, pentadecafluoro- (8CI,9CI); 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctanoic acid; A 5717; EF 201; Eftop EF 201; NSC 95114; PFOA; Pentadecafluoro-n-octanoic acid; Pentadecafluorooctanoic acid; Perfluoro-1-heptanecarboxylic acid; Perfluorocaprylic acid; Perfluoroheptanecarboxylic acid; Perfluorooctanoic acid; n-Perfluorooctanoic acid; Perfluorooctanoic Acid; Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-

Hazard Statement

Toxic if swallowed; UN number: UN2811; Packing Group: III

Purity

>95% (HPLC)

Smiles

O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Molecular Formula

C8 H F15 O2

Molecular Weight

414.07

InChI

InChI=1S/C8HF15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H,24,25)

Additionnal Information

IUPAC name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

Perfluorooctanoic acid

Perfluorooctanoic Acid (PFOA) can cause cancer according to The National Toxicology Program. It can cause developmental toxicity according to The Environmental Protection Agency (EPA).

CAS Number	335-67-1
PubChem CID	9554
IUPAC Name	2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid
Molecular Formula	C8HF15O2
Molecular Weight	414.07
XLogP	4.9
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	6
Heavy Atom Count	25
Formal Charge	0
Complexity	530

SMILES

C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O

InChI

InChI=1S/C8HF15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H,24,25)

InChIKey

SNGREZUHAYWORS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 335-67-1

CID: 9554

Formula: C8HF15O2

MW: 414.07

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	414.07
XLogP3	4.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	6
Exact Mass	413.9737017
Monoisotopic Mass	413.9737017
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	530
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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019286	Perfluorooctanoic Acid
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Perfluorooctanoic Acid

Chemical Information

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