Water - PFASs
Product Code
IRMM-428
CAS Number
7 AnalytesProduct Format
Matrix Material
Matrix
Water
Product Categories
Perfluoroalkylated substances (PFAS), Hydrocarbon and Petrochemical Reference Materials , Joint Research Centre (JRC)
Alternate CAS Number
7 AnalytesPrice and availability
Documentation
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Product Information
Analyte Data
Analyte Name
Concentration
CAS Number
Molecular Structure
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Unlabelled CAS Number
Molecular Formula
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SMILES
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InChI
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IUPAC
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Perfluorobutanesulfonic acid
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
C4 H F9 O3 S
Molecular Weight
300.10
Accurate Mass
299.9503
SMILES
OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI
InChI=1S/C4HF9O3S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H,14,15,16)
IUPAC
1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
Perfluoroheptanoic acid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H F13 O2
Molecular Weight
364.06
Accurate Mass
363.9769
SMILES
OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI
InChI=1S/C7HF13O2/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h(H,21,22)
IUPAC
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoic acid
Perfluorohexanesulfonic acid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H F13 O3 S
Molecular Weight
400.11
Accurate Mass
399.9439
SMILES
OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI
InChI=1S/C6HF13O3S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H,20,21,22)
IUPAC
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonic acid
Perfluorohexanoic acid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H F11 O2
Molecular Weight
314.05
Accurate Mass
313.9801
SMILES
OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI
InChI=1S/C6HF11O2/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h(H,18,19)
IUPAC
2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoic acid
Perfluorononanoic acid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H F17 O2
Molecular Weight
464.08
Accurate Mass
463.9705
SMILES
OC(=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
InChI
InChI=1S/C9HF17O2/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h(H,27,28)
IUPAC
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid
Perfluorooctanesulfonic acid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H F17 O3 S
Molecular Weight
500.13
Accurate Mass
499.9375
SMILES
OS(=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
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)
IUPAC
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid
Perfluoropentanoic acid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5 H F9 O2
Molecular Weight
264.05
Accurate Mass
263.9833
SMILES
OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI
InChI=1S/C5HF9O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h(H,15,16)
IUPAC
2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid
Storage & Transport Information
Storage Temperature
+4°C
Shipping Temperature
Dry ice
Country of Origin
BELGIUM
Tariff Code
38220000
Product Attributes
Product Format
Matrix Material
Matrix
Water
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