2-Hydroxytetrafluoroethanesulfonic acid beta-sultone

HCID 69678CAS 697-18-7
Substructure searchFind similar structures

Basic information

Standard SMILES
O=S1(=O)OC(F)(F)C1(F)F
InChIKey
ZMSRCMWBEGLBAI-UHFFFAOYSA-N
Molecular formula
C2F4O3S
Average molar mass
180.08 g/mol
Monoisotopic mass
179.95042774

Names & identifiers

Preferred name
2-Hydroxytetrafluoroethanesulfonic acid beta-sultone
IUPAC
3,3,4,4-tetrafluorooxathietane 2,2-dioxide
English name
Tetrafluoroethane beta-sultone
Molecular formula
C2F4O3S
Molecular weight
180.08

Names & synonyms

697-18-73,3,4,4-Tetrafluoro-1,2-oxathietane 2,2-dioxide1,2-Oxathietane, 3,3,4,4-tetrafluoro-, 2,2-dioxide16IFL9Y3ZYtetrafluoroethane-beta-sultoneEINECS 211-805-32-Hydroxytetrafluoroethanesulfonic acid beta-sultoneTETRAFLUOROETHANE SULTONETETRAFLUOROETHANE-.BETA.-SULTONETETRAFLUOROOXATHIETANE-2,2-DIOXIDE2-HYDROXYTETRAFLUOROETHANESULFONIC ACID SULTONE2-HYDROXYTETRAFLUOROETHANESULFONIC ACID .BETA.-SULTONE
Show more names
TETRAFLUORO-1,2-OXATHIETANE-2,2-DIOXIDETETRAFLUOROETHANE SS-SULTONETetrafluorooxathietane 2,2-dioxidePerfluoro(1,2-oxathietane 2,2-dioxide)2,2-Dioxo-3,3,4,4-tetrafluoro-1,2-oxathietane4,4,5,5-Tetrafluoro-1,3-oxathiolane2,2-dioxide3,3,4,4-TETRAFLUORO-1,2-OXATHIETANE-2,2-DIOXIDE
ETHANESULFONIC ACID, 1,1,2,2-TETRAFLUORO-2-HYDROXY-, .BETA.-SULTONERefChem:473524ETHANESULFONIC ACID, 1,1,2,2-TETRAFLUORO-2-HYDROXY-, BETA-SULTONETetrafluoroethane beta-sultone3,3,4,4-tetrafluorooxathietane 2,2-dioxide1,2-Oxathietane,3,3,4,4-tetrafluoro-, 2,2-dioxidetetrafluoro-1,2Tetrafluoroethanesultone

Database identifiers

CAS
697-18-7
PubChem CID
69678
DTXSID
DTXSID7061017
UNII
16IFL9Y3ZY
EC Number
211-805-3
Nikkaji
J25.666H

Properties

Computed structural properties

XLogP
1
Topological polar surface area
51.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
0
Heavy atoms
10

Experimental & physicochemical properties

PFAS · 2 items

PFAS -> Other/unspecified

PFAS -> Other/unspecified

SpringerMaterials PropertiesSchoenflies notation

Physicochemical properties

Melting point
-35 · -35
Boiling point
41 · 41-42
Density
1.692 · 1.692
CAS DataBase Reference
697 · 697-18-7(CAS DataBase Reference)
FDA UNII
16 IFL9Y3ZY · 16IFL9Y3ZY
EPA Substance Registry System
1 · 1,2-Oxathietane, 3,3,4,4-tetrafluoro-, 2,2-dioxide (697-18-7)

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Danger

H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P270, P271, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (25%)

Safety data

tsca
TSCA listed
Signal word
Danger
Symbol(GHS)
GHS05,GHS06
hazard_code
Xi
hazard_note
Irritant
Hazard statements
H314-H311-H301-H330

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,2-Oxathietane, 3,3,4,4-tetrafluoro-, 2,2-dioxide: ACTIVE

Upstream & downstream products

Suppliers50 total

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]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
常州新氟化学有限公司13275212658 · [email protected]
上海比阳实业有限公司+86-21-52699951; +8613917686115 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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