Basic information
- CAS
70225-16-0- Standard SMILES
O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.OCCNCCO- InChIKey
VAWRKOLUZUTBLC-UHFFFAOYSA-N- Molecular formula
- C6HF13O3S.C4H11NO2
- Average molar mass
- 505.25 g/mol
- Monoisotopic mass
- 505.0228598
Names & identifiers
- Preferred name
- 1-Hexanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-, compd. with 2,2'-iminobis(ethanol) (1:1)
- IUPAC
- 2-(2-hydroxyethylamino)ethanol;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonic acid
Names & synonyms
EINECS 274-462-9Tridecafluorohexanesulphonic acid, compound with 2,2'-iminodiethanol (1:1)70225-16-0RefChem:433019274-462-9
Database identifiers
- CAS
70225-16-0- PubChem CID
- 112396
- EC Number
- 274-462-9
Properties
Computed structural properties
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 582
Experimental & physicochemical properties
PFASPFAS -> OECD Category
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
H301: Toxic if swallowed [Danger Acute toxicity, oral]
P203, P260, P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P318, P319, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: 1-Hexanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-, compound with 2,2'-iminobis[ethanol] (1:1)
Hazard Traits - Bioaccumulation; Environmental Persistence
S - indicates a substance that is identified in a final Significant New Use Rule.
Substance: tridecafluorohexanesulphonic acid, compound with 2,2'-iminodiethanol (1:1)
Substance: Tridecafluorohexanesulphonic acid, compound with 2,2'-iminodiethanol (1:1)
1-Hexanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-, compd. with 2,2'-iminobis[ethanol] (1:1): Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Direct precursors to perfluoroheptanesulfonate (PFHpS), perfluorohexanesulfonate (PFHxS) and perfluoropentanesulfonate (PFPeS): Environment tier II assessment
Hazard Classes and CategoriesAcute toxicity - category 3
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information1-Hexanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-, 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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