Diethanolamine perfluoroctanesulfonate
Basic information
- CAS
70225-14-8- Standard SMILES
O=S(=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.OCCNCCO- InChIKey
OHPZNXYJAZBDSJ-UHFFFAOYSA-N- Molecular formula
- C12H12F17NO5S
- Average molar mass
- 605.27 g/mol
- Monoisotopic mass
- 605.0164724
Overview
See also: Diethanolamine perfluorooctane sulfonate (annotation moved to) ... View More ...
Names & identifiers
- Preferred name
- Diethanolamine perfluoroctanesulfonate
- IUPAC
- 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid;2-(2-hydroxyethylamino)ethanol
- English name
- Bis(2-hydroxyethyl)ammonium perfluorooctanesulfonate
- Molecular formula
- C12H12F17NO5S
- Molecular weight
- 605.26
Names & synonyms
bis(2-hydroxyethyl)ammonium perfluorooctanesulfonateY5GTM594K0Diethanolamine perfluoroctanesulfonateEINECS 274-460-8Heptadecafluorooctanesulphonic acid, compound with 2,2'-iminodiethanol (1:1)ETHANOL, 2,2'-IMINOBIS-, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-HEPTADECAFLUORO-1-OCTANESULFONATE (SALT)RefChem:58694770225-14-81,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid;2-(2-hydroxyethylamino)ethanol1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctane-1-sulfonic acid - 2,2'-iminodiethanol (1:1)MFCD01940963C12H12F17NO5S
Show more names
Perfluoroalkylsulfoamide(FC-99)d.with2,2’-iminobis[ethanol](1:1)PERFLUOROOCTANESULPHONICACID,DIETHANOLAMINESALTperfluoro-1-octanesulfonic acid, diethanolamine saltBIS(2-HYDROXYETHYL)AMMONIUM PERFLUOROOCTANESULPHONATEBis(2-hydroxyethyl)ammonium perfluorooctanesulphonate 98%Perfluorooctane sulfonate diethanolamine salt (PFOS-NH(OH)2)
Properties
Computed structural properties
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 23
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 756
Experimental & physicochemical properties
PFAS
PFAS -> Perfluoroalkyl acids (PFAAs)
PFAS -> non-polymer
Physicochemical properties
- FDA UNII
- 5 GTM594K0 · Y5GTM594K0
- EPA Substance Registry System
- 1 · 1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, compd. with 2,2'-iminobis[ethanol] (1:1) (70225-14-8)
- Symbol(GHS)
- 7 · GHS07,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 302 · H302-H332-H351-H362-H372-H411
- Precautionary statements
- 264 · P264-P270-P261-P271-P201-P202-P280-P260-P263-P273-P301+P312-P330-P304+P340-P312-P308+P313-P314-P391-P405-P501
- Hazard Codes
- Xi
- Safety Statements
- 24 · 24/25
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (98.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P261, P263, P264, P270, P271, P273, P280, P301+P317, P304+P340, P317, P318, P319, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 71 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Hazard Traits - Bioaccumulation; Environmental Persistence; Reproductive Toxicity
S - indicates a substance that is identified in a final Significant New Use Rule.
Substance: Heptadecafluorooctanesulphonic acid, compound with 2,2'-iminodiethanol (1:1)
Hazard Classes and CategoriesAcute Tox. 4 (98.6%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08,GHS09
- hazard_code
- Xi
- safety_code
- 24/25
- hazard_class
- IRRITANT
- Hazard statements
- H302-H332-H351-H362-H372-H411
- Precautionary statements
- P264-P270-P261-P271-P201-P202-P280-P260-P263-P273-P301+P312-P330-P304+P340-P312-P308+P313-P314-P391-P405-P501
Chemistry & industry
Uses & manufacturing
Uses
• Hard chrome plating [Ref: POPRC. 2016a. Consolidated Guidance on Alternatives to Perfluorooctane Sulfonic Acid and Its Related Chemicals (UNEP/POPS/POPRC.12/INF/15/Rev.1).]
non-polymer PFAS -> Electronic Industry -> Electrical equipment, appliance, and component manufacturing
General Manufacturing Information1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, compd. with 2,2'-iminobis[ethanol] (1:1): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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