Pentafluoroethanesulfonic acid

HCID 10219841
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Basic information

CAS
354-88-1
Standard SMILES
O=S(=O)(O)C(F)(F)C(F)(F)F
InChIKey
GKNWQHIXXANPTN-UHFFFAOYSA-N
Molecular formula
C2F5SO3H
Average molar mass
200.09 g/mol
Monoisotopic mass
199.95665599

Names & identifiers

Preferred name
Pentafluoroethanesulfonic acid
IUPAC
1,1,2,2,2-pentafluoroethanesulfonic acid
English name
Pentafluoroethane sulfonic acid
Molecular formula
C2HF5O3S
Molecular weight
200.08

Names & synonyms

pentafluoroethanesulfonic acid354-88-1perfluoroethanesulfonic acid1,1,2,2,2-pentafluoroethanesulfonic AcidPentafluoroethane-1-sulfonic acidDTXSID30870511MFCD01861156PFESperfluoroethane sulfonateC2F5SO3Hperfluoroethane sulfonic acidSCHEMBL105340
Show more names
Sodium perfluoroethanesulfonatePentafluoroethanesulfonicaciPentafluoroethane sulfonic acidPentafluoroethane sulfonic acid(354-88-1)Ethanesulfonic acid,1,1,2,2,2-pentafluoro-1,1,2,2,2-Pentafluoroethane-1-sulfonic acidPerfluoroethanesulfonic acid 50 μg/mL in Methanol:Water
SCHEMBL135907AKOS025395406FP79496NS00115384Perfluoroethanesulfonic acid 50 microg/mL in Methanol:Water

Database identifiers

CAS
354-88-1
PubChem CID
10219841
DTXSID
DTXSID30870511
EC Number
971-662-4
Nikkaji
J1.223.766I

Properties

Computed structural properties

XLogP
1
Topological polar surface area
62.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
1
Heavy atoms
11

Experimental & physicochemical properties

Chemical Classes · 2 items

Ionic Liquids

Ionic Liquids -> Fluorinated Ionic Liquids

PFAS · 6 items

PFAS -> Perfluorosulfonic acids

PFAS -> non-polymer

PFAS -> Ultra Short Chain PFsulfonic acids

PFAS -> Perfluoroalkyl acids (PFAAs)

PFAS -> Other/unspecified

PFAS -> PFAS with analytical method available

Collision Cross Section117.4 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: PFAS]

Physicochemical properties

Boiling point
178 °C · 178 °C
Density
1.862 · 1.862±0.06 g/cm3(Predicted)
pka
-3.86 · -3.86±0.50(Predicted)
form
liquid
color
Clear
EPA Substance Registry System
PFES (354-88-1)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P261, P263, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P363, P391, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code
2904990090
Signal word
Danger
Symbol(GHS)
GHS05
Hazard statements
H314
Precautionary statements
P260-P271-P280

Chemistry & industry

Uses & manufacturing

Uses · 2 items

non-polymer PFAS -> Fire-Fighting Foam -> Aqueous film-forming foams (AFFF)

• AFFF (detected) [Ref: https://doi.org/10.1021/acs.estlett.5b00049]

Use ClassificationPFAS -> Ultra Short Chain PFsulfonic acids

Suppliers14 total

艾吉析科技（上海）有限公司17717235263 · [email protected]
上海比阳实业有限公司+86-21-52699951; +8613917686115 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
上海比阳实业有限公司+86-15021878111 · [email protected]
上海泰坦科技股份有限公司18616708014 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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