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4151-50-2

4151-50-2 structural image
Product Name: Sulfluramid
Formula: C10H6F17NO2S
Synonyms: N-Ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonamide;N-Ethylperfluorooctane-1-sulfonamide
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colorless solid; [HSDB] Off-white powder; [MSDSonline]
Color/Form Colorless crystals
Boiling Point 196 °C
Melting Point 96 °C
Solubility Insoluble in water at 25 °C
Vapor Pressure 0.00000043 [mmHg]
LogP log Kow >6.80 (un-ionized)
Stability/Shelf Life Stable >90 days at 50 °C; to light >90 days in closed jar
pH Very weak acid
Dissociation Constants pKa = 9.50
Collision Cross Section 179.41 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Dataset: PFAS]
Chemical Classes PFAS

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H351:Carcinogenicity
H362:Reproductive toxicity, effects on or via lactation
H372:Specific target organ toxicity, repeated exposure
H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P263:Avoid contact during pregnancy/while nursing.
P273:Avoid release to the environment.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 527.20 g/mol
XLogP3 5.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 20
Rotatable Bond Count 9
Exact Mass 526.9847784 g/mol
Monoisotopic Mass 526.9847784 g/mol
Topological Polar Surface Area 54.6 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 763
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

PRODUCT INTRODUCTION

description

Sulfluramid is a sulfonamide obtained by the formal condensation of perfluorooctane-1-sulfonic acid with ethylamine. It has a role as an environmental contaminant, a xenobiotic, an acaricide and an insecticide. It is functionally related to a perfluorooctane-1-sulfonic acid and an ethylamine.