375-95-1
Product Name:
Perfluorononanoic acid
Formula:
C9HF17O2
Synonyms:
Heptadecafluorononanoic acid;Perfluorononanoic acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Beige crystalline solid; [Sigma-Aldrich MSDS] |
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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 |
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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 |
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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.