1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-(4-hydroxybutyl)-N-methyl-

HCID 69939
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Basic information

CAS
812-94-2
Standard SMILES
CN(CCCCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
ZDKQQLGFDAYLPC-UHFFFAOYSA-N
Molecular formula
C9H12F9NO3S
Average molar mass
385.25 g/mol
Monoisotopic mass
385.03941822

Names & identifiers

Preferred name
1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-(4-hydroxybutyl)-N-methyl-
IUPAC
1,1,2,2,3,3,4,4,4-nonafluoro-N-(4-hydroxybutyl)-N-methylbutane-1-sulfonamide
English name
1,1,2,2,3,3,4,4,4-nonafluoro-N-(4-hydroxybutyl)-N-methylbutane-1-sulphonamide
Molecular formula
C9H12F9NO3S
Molecular weight
385.25

Names & synonyms

EINECS 212-382-81-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-(4-hydroxybutyl)-N-methyl-Nonafluoro-N-(4-hydroxybutyl)-N-methyl-1-butanesulfonamideRefChem:430844812-94-21,1,2,2,3,3,4,4,4-nonafluoro-N-(4-hydroxybutyl)-N-methylbutane-1-sulfonamide1,1,2,2,3,3,4,4,4-Nonafluoro-N-(4-hydroxybutyl)-N-methylbutane-1-sulphonamideM7E6U62GRMSCHEMBL7638909DTXSID2061147C4F9SO2N(CH3)(CH2)4OH1,1,2,2,3,3,4,4,4-Nonafluoro-N-(4-hydroxybutyl)-N-methyl-1-butanesulfonamide
Show more names
NS00011360N-(4-Hydroxybutyl)-N-methylperfluoro-butane-1-sulfonamide

Database identifiers

CAS
812-94-2
PubChem CID
69939
DTXSID
DTXSID2061147
UNII
M7E6U62GRM
EC Number
212-382-8
Nikkaji
J193.192J

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
66 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
13
Rotatable bonds
8
Heavy atoms
23

Experimental & physicochemical properties

PFAS · 4 items

PFAS -> Other/unspecified

PFAS -> Other/unspecified

PFAS -> Other/unspecified

PFAS -> OECD Category

Physicochemical properties

Boiling point
120 · 120-132 °C(Press: 0.25 Torr)
Density
1.528 · 1.528±0.06 g/cm3(Predicted)
pka
15.02 · 15.02±0.10(Predicted)
EPA Substance Registry System
1 · 1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-(4-hydroxybutyl)-N-methyl- (812-94-2)
TSCA
TSCA listed

Safety & regulation

Hazard information

Regulatory InformationS - indicates a substance that is identified in a final Significant New Use Rule.

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-(4-hydroxybutyl)-N-methyl-: INACTIVE

Upstream & downstream products

Suppliers1 total

陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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