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375-85-9

375-85-9 structural image
Product Name: Perfluoroheptanoic acid
Formula: C7HF13O2
Synonyms: Perfluoroheptanoic acid;Tridecafluoroheptanoic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Color/Form Beige crystalline solid
Boiling Point 175 °C
Melting Point 30 °C
Flash Point > 113.00 °C (> 235.40 °F) - closed cup
Density 1.792 g/cu cm at 20 °C/4 °C
Vapor Pressure 0.133 mm Hg at 25 °C
Stability/Shelf Life Stable under recommended storage conditions.
Enthalpy of Sublimation 77.9 ± 2.7 [ΔsubHb (kJ/mol) at 270.0-288.8 K]
Refractive Index Index of refraction: 1.306 at 20 °C/D
Collision Cross Section 132.38 Ų [M-H-CO2]- [CCS Type: DT; Buffer gas: N2; Dataset: PFAS]
Chemical Classes PFAS

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Health Hazard
GHS08
GHS Hazard Statements H372:Specific target organ toxicity, repeated exposure
Precautionary Statement Codes P202:Do not handle until all safety precautions have been read and understood.
P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 364.06 g/mol
XLogP3 4.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 15
Rotatable Bond Count 5
Exact Mass 363.9768954 g/mol
Monoisotopic Mass 363.9768954 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 448
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

Perfluoroheptanoic acid is a fluoroalkanoic acid that is perfluorinated heptanoic acid. It has a role as a xenobiotic and an environmental contaminant. It is functionally related to a perfluoroheptane and a heptanoic acid.