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375-95-1

375-95-1 structural image
Product Name: Perfluorononanoic acid
Formula: C9HF17O2
Synonyms: Heptadecafluorononanoic acid;Perfluorononanoic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Beige crystalline solid; [Sigma-Aldrich MSDS]
Vapor Pressure 0.08 [mmHg]
Enthalpy of Sublimation 88.7 ± 2.3 [ΔsubHb (kJ/mol) at 294.4-317.7 K]
Dissociation Constants pKa = -0.21
Collision Cross Section 147.02 Ų [M-H-CO2]- [CCS Type: DT; Buffer gas: N2; Dataset: PFAS] 165.15 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Dataset: PFAS]
Kovats Retention Index 1091
Chemical Classes PFAS

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08
GHS Hazard Statements H351:Carcinogenicity
H362:Reproductive toxicity, effects on or via lactation
H372:Specific target organ toxicity, repeated exposure
Precautionary Statement Codes P201:Obtain special instructions before use.
P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P263:Avoid contact during pregnancy/while nursing.
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 464.08 g/mol
XLogP3 5.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 19
Rotatable Bond Count 7
Exact Mass 463.9705080 g/mol
Monoisotopic Mass 463.9705080 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 615
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

Perfluorononanoic acid is a fluoroalkanoic acid that is nonanoic acid in which all of the hydrogens in the alkyl chain are replaced by fluorines. It has a role as a persistent organic pollutant, a xenobiotic and a surfactant. It is functionally related to a nonanoic acid.