全氟己烷-1-磺酸

Description

perfluorohexane-1-sulphonic acid · CAS 355-46-4 · C6F13SO3H. UNII ZU6Y1E592S. Boiling Point: 238-239 °C; Density: 1.841 g/cu cm; Collision Cross Section: 228.66 Ų [2M-H]-.

Identification

CAS Registry Number	355-46-4
PubChem CID	67734
Molecular formula	C6F13SO3H
IUPAC name	1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonic acid
UNII (FDA)	ZU6Y1E592S

Computed Descriptors

Molecular Weight	400.12
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	5
Exact Mass	399.9438812
Monoisotopic Mass	399.9438812
Topological Polar Surface Area	62.8
Heavy Atom Count	23
Formal Charge	0

Physical & Chemical Properties

Boiling Point	238-239 °C
Density	1.841 g/cu cm
Collision Cross Section	228.66 Ų [2M-H]-
Collision Cross Section	150.81 Ų [M-H]-

Physical description & handling notes

• Chemical stability: Stable under recommended storage conditions. /Tridecafluorohexane-1-sulfonic acid potassium salt/
• Index of refraction: 1.309
• 150.5 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: PFAS]
• 150.9 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID3037709]
• Beige crystals /Perfluorohexanesulfonic acid potassium salt/

GHS Hazard Classification

Reported hazard statements	H302 (100%), H312 (100%), H314 (100%), H332 (100%), H373, H315, H319, H335

Documented Uses

• Used mainly as a raw material or precursor for production of PFAS /perfluoroalkyl sulfonate/ based products.
• Laboratory applications, manufacture of substances. /Tridecafluorohexane-1-sulfonic acid potassium salt/
• Perfluorohexane sulfonate (PFHxS) is a six-carbon compound in the perfluoroalkyl family of chemicals. Perfluorohexane sulfonate was once used in firefighting foam and carpet treatment solutions. It was once widely used by 3M as a stain and water repellent but was phased out due to U.S. Environmental Protection Agency regulations.
• • Detected in leather [Ref:
• • Detected in chipboards [Ref:
• • Photoprint ink and laser ink [Ref: Herzke, Dorte, Stefan Posner, and Elisabeth Olsson. 2009. Survey, Screening and Analyses of PFCs in Consumer Products. www.swereaivf.se.]

Synonyms

Perfluorohexanesulfonic acid; 355-46-4; 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulfonic acid; Perfluorohexane-1-sulphonic acid; PFHxS; perfluorohexane sulfonic acid; DTXSID7040150; ZU6Y1E592S; CHEBI:132448; PFHS cpd; RefChem:171661; DTXCID2011859; PFHxS perfluorohexanesulfonic acid; perfluorohexane sulfonate potassium salt; perfluorohexane-1-sulphonic acid-potassium salt; 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-su1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonic

Frequently Asked Questions

What are the CAS number and molecular formula of perfluorohexane-1-sulphonic acid?

CAS 355-46-4; molecular formula C6F13SO3H; molecular weight — g/mol.

What other names is perfluorohexane-1-sulphonic acid known by?

Perfluorohexanesulfonic acid, 355-46-4, 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulfonic acid, Perfluorohexane-1-sulphonic acid, PFHxS, perfluorohexane sulfonic acid.

Is perfluorohexane-1-sulphonic acid classified as hazardous?

Hazard statements reported: H302, H312, H314, H332, H373.

What are the key physical properties of perfluorohexane-1-sulphonic acid?

Boiling Point: 238-239 °C; Density: 1.841 g/cu cm; Collision Cross Section: 228.66 Ų [2M-H]-; Collision Cross Section: 150.81 Ų [M-H]-.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.