Ethanesulfonic Acid Impurity 7

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CAS Number

756426-58-1

Synonyms

2- ((6-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexyl) oxy) -1,1,2,2-tetrafluoroethane-1-sulfonic acid

Molecular Formula

C8HClF16O4S

Molecular Weight

532.58

Target Alternative Name

Ethanesulfonic Acid

Product Name Synonym

2- ((6-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexyl) oxy) -1,1,2,2-tetrafluoroethane-1-sulfonic acid

Chemical Information

2-((6-Chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexyl)oxy)-1,1,2,2-tetrafluoroethanesulfonic acid

a mist suppressant used in the chrome plating industry; structure in first source

CAS Number	756426-58-1
PubChem CID	22568738
IUPAC Name	2-(6-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexoxy)-1,1,2,2-tetrafluoroethanesulfonic acid
Molecular Formula	C8HClF16O4S
Molecular Weight	532.58
XLogP	5.3
Topological Polar Surface Area	72
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	9
Heavy Atom Count	30
Formal Charge	0
Complexity	756

SMILES

C(C(C(C(F)(F)Cl)(F)F)(F)F)(C(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C8HClF16O4S/c9-5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)29-7(22,23)8(24,25)30(26,27)28/h(H,26,27,28)

InChIKey

GGOUUEMCWBTDMT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 756426-58-1

CID: 22568738

Formula: C8HClF16O4S

MW: 532.58

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	532.58
XLogP3	5.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	9
Exact Mass	531.9028580
Monoisotopic Mass	531.9028580
Topological Polar Surface Area	72 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	756
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RG-A261232-01	Ethanesulfonic Acid
RM-C080307-01	Cholic Acid Impurity 7
RM-V011233-01	Valproic Acid Impurity 7
RM-G121507-01	Glycocholic Acid Impurity 7
RM-G100007-01	Gadoxetic Acid Impurity 7
RM-F051807-01	Ferulic acid Impurity 7
RM-A048207-01	Aspartic Acid Impurity 7
RM-T090307-01	Thioctic Acid Impurity 7
RM-L051307-01	Folinic Acid Impurity 7
RM-T324007-01	Taurolithocholic Acid Impurity 7

Catalog	Name
TRC-E937880-1G	Ethanesulfonic Acid
E02650-01	Ethanesulfonic acid 97%
T124502-01	2- (Dimethylamino) ethanesulfonic acid
274856-01	Ethanesulfonic Acid Sodium Salt
C8400-01	2- (Cyclohexylamino) Ethanesulfonic Acid
FM133266-01	2- (Methylamino) ethanesulfonic acid
AR-M01467-01	2-Ethoxy-Ethanesulfonic Acid
MBS5790006	2-(Dimethylamino)ethanesulfonic acid
OR1074764-01	2- (Methacryloyloxy) ethanesulfonic acid
414331-01	2- (N-Cyclohexylamino) ethanesulfonic Acid