(3-(((Heptadecafluorooctyl)sulphonyl)amino)propyl)trimethylammonium iodide

HCID 84096
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Basic information

CAS
1652-63-7
Standard SMILES
C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[I-]
InChIKey
MLIMEVJPZQAQQE-UHFFFAOYSA-M
Molecular formula
C14H16F17N2O2S.I
Average molar mass
726.23 g/mol
Monoisotopic mass
725.97057649

Names & identifiers

Preferred name
(3-(((Heptadecafluorooctyl)sulphonyl)amino)propyl)trimethylammonium iodide
IUPAC
3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)propyl-trimethylazanium iodide
English name
Perfluoroalkylsulfonyl quaternary ammonium iodide
Molecular formula
C14H16F17IN2O2S
Molecular weight
726.23

Names & synonyms

(3-(((Heptadecafluorooctyl)sulphonyl)amino)propyl)trimethylammonium iodide1-Propanaminium, 3-(((heptadecafluorooctyl)sulfonyl)amino)-N,N,N-trimethyl-, iodide1-Propanaminium, 3-(((1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl)amino)-N,N,N-trimethyl-, iodide (1:1)1-Propanaminium, 3-[[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]amino]-N,N,N-trimethyl-, iodide (1:1)[3-[[(HEPTADECAFLUOROOCTYL)SULPHONYL]AMINO]PROPYL]TRIMETHYLAMMONIUM IODIDE1-Propanaminium, 3-[[(heptadecafluorooctyl)sulfonyl]amino]-N,N,N-trimethyl-, iodideRefChem:399415216-716-3269-732-81652-63-73-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)propyl-trimethylazanium iodideDTXSID8051419
Show more names
FC-134FC-135Perfluorooctyl quaternary ammonium iodidefluoro surfactant fc-134Trimethyl-1-propaminium iodidetrimethyl-1-propanaminium iodidePerfluoroalkyl ammonium salt iodide2-(2-fluorophenyl)-1-benzopyran-4-onePerfluoro-n-octyltriethylammoniumiodidefluoroalkyl quaternary ammonium iodide (C8)
[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonamido)propyl]trimethylammonium iodide3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)propyl-trimethylazanium;iodideN-[(Perfluorooctylsulfonamido)propyl]-N,N,N-trimethylammonium iodide1-Propanaminium, 3-[[(heptadecafluorooctyl) sulfonyl]amino]-N,N,N-trimethyl-, iodide3-(((Heptadecafluorooctyl)sulfonyl)amino)-N,N,N-trimethyl-1-propanaminium iodide3-[[(Heptadecafluorooctyl)sulfonyl]amino]-N,N,N-trimethyl-1-propanaminium iodideMFCD01321252SCHEMBL4168238

Database identifiers

CAS
1652-63-7、68310-75-8
PubChem CID
84096
DTXSID
DTXSID8051419
EC Number
216-716-3、269-732-8

Properties

Computed structural properties

Topological polar surface area
54.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
21
Rotatable bonds
12
Heavy atoms
37

Experimental & physicochemical properties

PFAS · 4 items

PFAS -> OECD Category

PFAS -> Perfluoroalkane sulfonyl fluoride (PASF)-based substances

PFAS -> Other/unspecified

PFAS -> non-polymer

Physicochemical properties

Melting point
274 °C · 274 °C (dec.)
Density
1 · 1,6 g/cm3
storage temp.
Stored in room temperature, ventilated place
form
Powder
color
Yellowish
CAS DataBase Reference
1652 · 1652-63-7(CAS DataBase Reference)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: 1-Propanaminium, 3-[[(heptadecafluorooctyl)sulfonyl]amino]-N,N,N-trimethyl-, iodide

Hazard Traits - Bioaccumulation; Environmental Persistence

S - indicates a substance that is identified in a final Significant New Use Rule.

Other Safety InformationIMAP assessments - Indirect Precursors of Perfluorooctane Sulfonate (PFOS): Human health tier II assessment

Safety data

tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Uses & manufacturing

Uses · 2 items

non-polymer PFAS -> Personal Care products and cosmetics -> Hair shampoo

• Photographic recording materials having decreased adhesive properties [Ref: CAS2019 (DE2526970)]

Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information1-Propanaminium, 3-[[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]amino]-N,N,N-trimethyl-, iodide (1:1): ACTIVE
Applications · 1 item

UsesPerfluoroalkylsulfonyl quaternary ammonium iodide is an important chemical with a wide range of uses. It can be used in the industrial treatment of wastewater, including industrial wastewater, sludge and effluent; in the semiconductor industry as a developer and sealer; in personal care and cosmetic formulations such as shampoos, rinses, conditioners, etc.; and in the pesticide industry as a botanical pesticide (especially in herbicide formulations). In addition, it is used in leather manufacturing, polymer electrolyte fuel cells, photographic materials, glass, laboratory supplies, and more.

Suppliers100 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
湖北鑫杰成化工科技有限公司13554075426 · [email protected]

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Compound notes

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