Pentafluoroethanesulfonic acid

HCID 10219841CAS 354-88-1

基本情報

標準SMILES: O=S(=O)(O)C(F)(F)C(F)(F)F
InChIKey: GKNWQHIXXANPTN-UHFFFAOYSA-N
分子式: C2F5SO3H
平均分子量: 200.09 g/mol
単同位体質量: 199.95665599

名称と識別子

優先名称: Pentafluoroethanesulfonic acid
IUPAC: 1,1,2,2,2-pentafluoroethanesulfonic acid
英語名: Pentafluoroethane sulfonic acid
分子式: C2HF5O3S
分子量: 200.08

名称と別名

pentafluoroethanesulfonic acid354-88-1perfluoroethanesulfonic acid1,1,2,2,2-pentafluoroethanesulfonic AcidPentafluoroethane-1-sulfonic acidDTXSID30870511MFCD01861156PFESperfluoroethane sulfonateC2F5SO3Hperfluoroethane sulfonic acidSCHEMBL105340

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

XLogP: 1
極性表面積: 62.8 Å²
水素結合供与体数: 1
水素結合受容体数: 8
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 231

実験および物理化学的性質

Chemical Classes · 2 件

Ionic Liquids

Ionic Liquids -> Fluorinated Ionic Liquids

PFAS · 6 件

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 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: PFAS]

物理化学的性質

沸点: 178 °C · 178 °C
比重(密度): 1.862 · 1.862±0.06 g/cm3(Predicted)
酸解離定数(Pka): -3.86 · -3.86±0.50(Predicted)
外見: liquid
色: Clear
EPAの化学物質情報: PFES (354-88-1)

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

hs_code: 2904990090

化学と産業

用途と製造

Uses · 2 件

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

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