Compound Summary
Compound Information
Perfluorooctanesulfonic acid
Compound Name: | Perfluorooctanesulfonic acid |
Compound CID: | 74483 |
Synonyms: | Perfluorooctanesulfonic acid 1763-23-1 PFOS Perfluorooctane sulfonic acid 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid More... |
Iupac Name: | 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid |
InChI: | InChI=1S/C8HF17O3S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H,26,27,28) |
InChIKey: | YFSUTJLHUFNCNZ-UHFFFAOYSA-N |
Canonical Smiles: | C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F |
Isomeric Smiles: | C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F |
Molecular Weight: | 500.13 |
Molecular Formula: | C8HF17O3S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Perfluorooctanesulfonic acid
Molecular Weight: | 500.13 |
Molecular Formula: | C8HF17O3S |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 20 |
Rotatable Bond Count: | 7 |
Heavy Atom Count: | 29 |
Complexity: | 727 |
Synonyms
Perfluorooctanesulfonic acid
| Perfluorooctanesulfonic acid | Perfluorooctanesulfonic acid |
|---|---|
Perfluorooctanesulfonic acid |
1763-23-1 |
PFOS |
Perfluorooctane sulfonic acid |
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid |
Perfluorooctylsulfonic acid |
Heptadecafluorooctanesulfonic acid |
Perfluorooctane sulfonate |
Heptadecafluoro-1-octanesulfonic acid |
1-Perfluorooctanesulfonic acid |
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonic acid |
UNII-9H2MAI21CL |
heptadecafluorooctane sulphonic acid |
9H2MAI21CL |
1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro- |
DTXSID3031864 |
CHEBI:39421 |
NCGC00164449-04 |
Fluorad FC 95 |
Floral FC 95 |
Potassium heptadecafluorooctane-1-sulfonate |
Heptadecafluorooctane-1-sulphonic acid |
Eftop EF 101 |
C8HF17O3S |
FC 95 |
NSC18405 |
HSDB 7099 |
EINECS 217-179-8 |
EF 101 |
Perfluorooctanesulfonic acid, potassium salt |
perfluoro-octylsulphonic acid |
Heptadecafluorooctanesulfonic acid, potassium salt |
1-Octanesulfonic acid, heptadecafluoro-, potassium salt |
nPFOS |
P8S |
heptadecafluorooctane-1-sulfonic acid |
perfluorooctane-sulfonic acid |
DSSTox_CID_11864 |
DSSTox_RID_78894 |
DSSTox_GSID_31864 |
SCHEMBL24140 |
C8F17SO3H |
perfluoro-1-octanesulfonic acid |
perfluorooctane-1-sulfonic acid |
CHEMBL1876554 |
perfluoro-n-octane sulfonic acid |
heptadecafluorooctanesulphonic acid |
4021-47-0(as Na salt) |
ACT03388 |
CS-B0918 |
Floral FC 95 (*potassium salt*) |
Fluorad FC 95 (*potassium salt*) |
Tox21_400083 |
9245AA |
MFCD00042454 |
ZINC38141428 |
AKOS016010567 |
NCGC00164449-01 |
NCGC00164449-02 |
NCGC00164449-03 |
NCGC00164449-05 |
CAS-1763-23-1 |
FT-0716967 |
H0781 |
C18142 |
97808-EP2305685A1 |
97808-EP2305686A1 |
A812173 |
Q902094 |
J-011181 |
Perfluorooctane sulfonic acid 100 microg/mL in Methanol |
Heptadecafluorooctanesulfonic acid solution, ~40% in H2O (T) |
1,1,2,2,3,3,4, 4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonic acid |
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-octane-1-sulfonic acid |
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octane-1-sulfonic acid |
Heptadecafluorooctanesulfonic acid solution, 100 mug/mL in methanol, analytical standard |
1,1,2,2,3,3,4, 4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonic acid, potassium salt |
1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7, 7,8,8,8-heptadecafluoro-, potassium salt |
Experimental Data
Perfluorooctanesulfonic acid
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Daphnia magna | 25 | umol/L | 45 | 23 | -0.49 | S | 32521362 | Inactive |
Experimental Data Visualization
Perfluorooctanesulfonic acid
Statistics Data
Perfluorooctanesulfonic acid
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Daphnia magna | -0.49 | 1 | 1 |
Statistics Data Visualization
Perfluorooctanesulfonic acid
