375-85-9

Basic information

• Product Name: Perfluoroheptanoic acid
• Synonyms: perfluoroheptanoic;perfluoro-n-heptanoicacid;tridecafluoro-heptanoicaci;N-TRIDECAFLUOROHEPTANOIC ACID;N-PERFLUOROHEPTANOIC ACID;PERFLUOROENANTHIC ACID;PERFLUOROHEPTANOIC ACID;PFHPA
• CAS NO: 375-85-9
• Molecular Formula: C₇HF₁₃O₂
• Molecular Weight: 364.06
• EINECS: 206-798-9
• Product Categories: Analytical Chemistry;Ion-Pair Reagents for HPLC;LC/MS Ion-Pair Reagents for Basic Samples;Fluorous Chemistry;Fluorous Compounds;Synthetic Organic Chemistry;organofluorine compounds
• Mol File: 375-85-9.mol
• Article Data: 20

Chemical Properties

• Melting Point: ~30 °C
• Boiling Point: 175 °C742 mm Hg(lit.)
• Flash Point: >230 °F
• Appearance: Clear colorless to pale yellow/Liquid After Melting
• Density: 1.792 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.539mmHg at 25°C
• Refractive Index: n20/D 1.306(lit.)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 0.47±0.10(Predicted)
• Water Solubility: Insoluble in water.
• Stability: Stable. Incompatible with strong bases.
• BRN: 1808210
• CAS DataBase Reference: Perfluoroheptanoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: Perfluoroheptanoic acid(375-85-9)
• EPA Substance Registry System: Perfluoroheptanoic acid(375-85-9)

Safety Data

• Hazard Codes: C
• Statements: 22-34
• Safety Statements: 26-36/37/39-45
• RIDADR: UN 3261 8/PG 2
• WGK Germany: 3
• TSCA: T
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 375-85-9(Hazardous Substances Data)

Usage

Chemical Properties

Perfluoroheptanoic acid is a white solid under ambient conditions, but it has a relatively low melting point (Huang, et al., 1987). In comparison, the C6 homologue, PFHxA, and other short-chain perfluorocarboxylic acids are volatile liquids (NICNAS, 2015a). The C8 homologue is also a solid under ambient conditions, although it has a relatively low sublimation temperature of 40°C (Kaiser, et al., 2010). Based on the properties of this long-chain homologue, solid PFHpA may sublime under ambient conditions.

Uses

Different sources of media describe the Uses of 375-85-9 differently. You can refer to the following data:
1. Perfluorinated compounds (PFCs) have been detected in many environmental matrixes, biota, and nonoccupationally exposed populations in China recently. Being a persistent environmental pollutant, it ca n accumulate in human tissues via various exposure routes. PFHA may interfere in a toxic fashion on the immune system, liver, development, and endocrine systems. Perfluoroheptanoate (PFHpA, perfluoroheptanoic acid, perfluoro-n-heptanoic acid, tridecafluoro-1-heptanoic acid) is a seven-carbon compound in the perfluoroalkyl family of chemicals. Perfluoroheptanoate is used in stain- and grease-proof coatings on furniture, carpet, and food packaging. Perfluoroheptanoate is the seven-carbon chemical that is structurally similar to the highly persistent and outlawed PFOA. Much like other perfluoroalkyls, PFHpA can persist in the environment.
2. Perfluoroheptanoic acid is a important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field etc.

Definition

ChEBI: A fluoroalkanoic acid that is perfluorinated heptanoic acid.

InChI:InChI=1/C7HF13O2.H3N/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20;/h(H,21,22);1H3

Upstream product

• 355-43-1 n-perfluorohexyl iodide 
• 124-38-9 carbon dioxide 
• 106993-79-7 F-hexyl-1 butyne-1-ol-3 
• 111-14-8 oenanthic acid 
• 52447-22-0 perfluoroheptanoyl chloride 
• 375-84-8 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoyl fluoride 
• 1546-95-8 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoic acid 
• 335-99-9 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1-heptanol 
• 335-67-1 Perfluorooctanoic acid 
• 375-95-1 perfluorononanoic acid 
• 78522-65-3 Trifluoro-methanesulfonic acid tridecafluorohexyl ester 
• 78522-67-5 1,1,2,2,3,3,4,4,4-Nonafluoro-butane-1-sulfonic acid tridecafluorohexyl ester 
• 375-88-2 1-bromopentadecafluoroheptane 
• 647-42-7 1H,1H,2H,2H-tridecafluoro-n-octanol 

Downstream Products

• 92-52-4 biphenyl 
• 86759-24-2 phenyl perfluoroheptanoate 
• 108-90-7 chlorobenzene 
• 122-79-2 Phenyl acetate 
• 307-24-4 undecafluorohexanoic acid 
• 124-38-9 carbon dioxide 
• 1379825-14-5 2-(2′-perfluorohexylphenyl)pyridine 
• 106-43-4 para-chlorotoluene 
• 102607-12-5 2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-heptanoic acid p-tolyl ester 
• 1813-29-2 4-methylphenyl trifluoroacetate 
• 95-49-8 2-methylchlorobenzene 
• 533-18-6 2-methylphenyl acetate 
• 140-39-6 1-acetoxy-4-methylbenzene 
• 375-84-8 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoyl fluoride 

Relevant articles and documents

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Preparation method of fluorine-containing carboxylic acid

The invention discloses a preparation method of fluorine-containing carboxylic acid. The method comprises the following steps: reacting fluorine-containing carboxylate used as a raw material with an acylating chlorination reagent to obtain a corresponding mixture of fluorine-containing acyl chloride and fluorine-containing anhydride, and hydrolyzing and drying the mixture of fluorine-containing acyl chloride and fluorine-containing anhydride to obtain high-purity fluorine-containing carboxylic acid. The method provided by the invention is suitable for post-treatment of fluorine-containing carboxylic acid prepared by a fluorine-containing olefin (monoolefine, diene, cycloolefin and the like) oxidation method, replaces the traditional strong acid acidification and ether continuous extractionprocess, and is simpler, more convenient and more applicable; and the method can also be used for recovering and purifying a fluorine-containing carboxylate emulsifier. The purity of the fluorine-containing carboxylic acid prepared by the method can reach 98% or above.

The effect of oxygen in the photocatalytic oxidation pathways of perfluorooctanoic acid

The influence of oxygen in the photocatalytic oxidation of perfluorooctanoic acid (PFOA) promoted by a commercial nano-sized titanium dioxide was studied by testing the reaction in different conditions: static air, oxygen flux, nitrogen flux and pre-saturated nitrogen flux. The reaction was monitored by Total Organic Carbon (TOC) analysis and Ionic Chromatography (IC). Shorter chain perfluorocarboxylic acids (PFCAs; Cn, n = 1-7) intermediate degradation products were quantitatively determined by High-Performance Liquid Chromatography combined with Mass Spectrometry (HPLC-MS) analysis. The presence of shorter chain PFCAs in solution was also monitored by 19F NMR. The experimental findings are in agreement with two major oxidative pathways: Cn → Cn-1 photo-redox and β-scissions routes mediated by COF2 elimination. Depending on the experimental conditions, the mutually operating mechanisms could be unbalanced up to the complete predominance of one pathway over the other. In particular, the existence of the β-scissions route with COF2 elimination was corroborated by the isolation and characterization of carbonyl difluoride, a predicted fluorinated decomposition by-product.