Perfluorononanoic acid

Base Information

• Chemical Name: Perfluorononanoic acid
• CAS No.: 375-95-1
• Molecular Formula: C9HF17O2
• Molecular Weight: 464.079
• Hs Code.: 29159000
• European Community (EC) Number: 206-801-3
• UNII: 5830Z6S63M
• DSSTox Substance ID: DTXSID8031863
• Nikkaji Number: J213.586H
• Wikipedia: Perfluorononanoic_acid
• Wikidata: Q7168161
• Metabolomics Workbench ID: 55851
• ChEMBL ID: CHEMBL426404
• Mol file: 375-95-1.mol

Synonyms:2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid;C9-PFA;heptadecafluorononanoic acid;perfluoro-n-nonanoic acid;perfluoro-n-nonanoic acid, ammonium salt;perfluoro-n-nonanoic acid, lithium salt;perfluoro-n-nonanoic acid, potassium salt;perfluoro-n-nonanoic acid, sodium salt;perfluorononanoic acid;PFNA perfluorononanoic acid

Chemical Property of Perfluorononanoic acid

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 0.171mmHg at 25°C
• Melting Point: 59-62 °C(lit.)
• Refractive Index: 1.288
• Boiling Point: 196.4 °C at 760 mmHg
• PKA: 0.52±0.10(Predicted)
• Flash Point: 72.6 °C
• PSA: 37.30000
• Density: 1.753 g/cm³
• LogP: 5.08040
• Storage Temp.: Refrigerator
• Solubility.: Acetone (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 7
• Exact Mass: 463.9705080
• Heavy Atom Count: 28
• Complexity: 615

Purity/Quality:

99.9% ^*data from raw suppliers

Perfluorononanoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: PFAS,Other Classes -> Perfluoroalkyl Acids
• Canonical SMILES: C(=O)(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
• Uses: Perfluorinated compounds (PFCs) are persistent in environments due to the high energy of C-F bond routes. PFNA may interfere in a toxic fashion on the immune system, liver, development, and endocrine systems. Perfluorinated compounds (PFCs) are persistent in environments due to the high energy of C-F bond. Being a persistent environmental pollutant, it can accumulate in human tissues via various exposure routes. PFNA may interfere in a toxic fashion on the immune system, liver, development, and endocrine systems.

Technology Process of Perfluorononanoic acid

There total 8 articles about Perfluorononanoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.6%

→ perfluorononanoic acid (375-95-1)

Guidance literature:

With water;

Reference yield: 94.0%

1H,1H,2H-perfluorodecene (21652-58-4) → perfluorononanoic acid (375-95-1)

Guidance literature:

With manganese (VII)-oxide; In tetrachloromethane; acetone; at -80 ℃;

Reference yield: 91.0%

1-iodoheptadecafluorooctane (507-63-1) + carbon dioxide (124-38-9,18923-20-1) → perfluorononanoic acid (375-95-1)

Guidance literature:

With zinc copper; In various solvent(s); at -20 ℃;

DOI:10.1055/s-1991-26535

upstream raw materials:

[1,3]-dioxolan-2-one

1-iodoheptadecafluorooctane

carbon dioxide

1H,1H,2H-perfluorodecene

Downstream raw materials:

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanol

perfluorooctanoyl ammonia

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-<(4-cyanomethyl)phenyl>nonanamide

α-heptadeca-fluorooctylacetone

Refernces

• 1、 Benefice-Malouet,Blancou,Itier,Commeyras. "An improved synthesis of perfluorocarboxylic acids". . p. 647 - 648. Retrieved 2007/10/02.
• 2、 Herbst, L.,Hoffmann, H.,Kalus, J.,Reizlein, K.,Schmelzer, U.,Ibel, K.. "Small Angle Neutron Scattering on Nematic Lyotropic Liquid Crystals". . p. 1050 - 1064. Retrieved 2007/10/02.