Perfluoropentanoic acid (HCID 75921)

Überblick

Perfluoropentanoic acid is a monocarboxylic acid that is perfluorinated pentanoic acid. It has a role as a xenobiotic and an environmental contaminant. It is functionally related to a valeric acid.

Namen und Bezeichner

Bevorzugter Name: Perfluoropentanoic acid
IUPAC: 2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid
Lokaler Name: Perfluorvaleriansure
Englischer Name: Perfluoropentanoic acid
Summenformel: C5HF9O2
Molmasse: 264.05

Namen und Synonyme

Perfluoropentanoic acid2706-90-3Perfluorovaleric acidnonafluoropentanoic acid2,2,3,3,4,4,5,5,5-Nonafluoropentanoic acidValeric acid, nonafluoro-Nonafluoro-1-pentanoic acidDTXSID6062599LUW3UY784PNSC-18404Pentanoic acid, 2,2,3,3,4,4,5,5,5-nonafluoro-CHEBI:83491

Weitere Namen anzeigen

Perfluoropentanoicacid,97%NSC 18404IPC-PFFA-5uoropentanoic acidRARECHEM AL BO 2315n-perfluoropentanoic

RefChem:860287PFPeA perfluoropentanoic acidDTXCID9037612220-300-7Nonafluorovaleric acidPentanoic acid, nonafluoro-n-Perfluoropentanoic acidPFPeA

Datenbank-Bezeichner

CAS: 2706-90-3
PubChem CID: 75921
DTXSID: DTXSID6062599
ChEMBL: CHEMBL173263
ChEBI: CHEBI:83491
UNII: LUW3UY784P
EC Number: 220-300-7
Nikkaji: J192.213K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 11
Frei drehbare Bindungen: 3
Schwere Atome: 16
Formalladung: 0
Komplexität: 291

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Ionic Liquids -> Fluorinated Ionic Liquids

Ionic Liquids

PFAS · 6 Einträge

PFAS -> Perfluorocarboxylic acids

PFAS -> Other/unspecified

PFAS

PFAS -> Perfluoroalkyl acids (PFAAs)

PFAS -> PFcarboxylic acids (PFCA)

PFAS (C5HF9O2)

Collision Cross Section · 2 Einträge

117.4 Å² [M-H-CO2]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: PFAS]

179.96 Å² [2M-H]-

Physikochemische Eigenschaften

Siedepunkt: 140 °C · 140 °C(lit.)
Dichte: 1.713 g/mL · 1.713 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.294(lit.)
Flammpunkt: 140 °C · 140°C
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: 10 mg/mlDMSO: · DMF: 10 mg/mlDMSO: 10 mg/mlEthanol: 10 mg/mlPBS (pH 7.2): 1 mg/ml
Aggregatzustand: Liquid
pka: 0.4 · 0.40±0.10(Predicted)
Farbe: Clear light yellow to light brown
Wichte: 1.713 · 1.713
Wasserlöslichkeit: Partly soluble in water.
BRN: 1800087 · 1800087
Henry's Law Constant: 6.7 · 6.7×10-1 mol/(m3Pa) at 25℃, Kwan (2001)
Stabilität: Stable. Incompatible with strong oxidizing agents.
InChI: InChI=1S/C5HF9O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h(H,15,16)
InChIKey: CXZGQIAOTKWCDB-UHFFFAOYSA-N
SMILES: C(O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
CAS Datenbank: 2706 · 2706-90-3(CAS DataBase Reference)
EPA chemische Informationen: Perfluorovaleric acid (2706-90-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H314 (98.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 4 notifications to the ECHA C&L Inventory.

Danger

H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Pentanoic acid, nonafluoro-

Hazard Traits - Hazard Trait Undefined

Other Safety InformationIMAP assessments - Short chain perfluorocarboxylic acids and their direct precursors: Human health tier II assessment

Hazard Classes and Categories · 2 Einträge

Skin Corr. 1C (98.1%)

Eye damage - category 1

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 29159000
risk_code: 34
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Dam. 1Repr. 2

Chemie und Industrie

Verwendung und Herstellung

Uses · 2 Einträge

non-polymer PFAS -> Coatings, Paints and Varnishes -> Coatings in general

• Use in antireflective undercoat layer for lithography [Ref: CAS2019 (JP2000221689)]

Use Classification · 2 Einträge

PFAS (per- and polyfluoroalkyl substances) -> OECD Category

PFAS -> PFcarboxylic acids (PFCA)

General Manufacturing InformationPentanoic acid, 2,2,3,3,4,4,5,5,5-nonafluoro-: ACTIVE

Anwendungen

VerwendenPerfluoropentanoic acid is a short-chain perfluorocarboxylic acid (PFCA) generally used as an industrial surfactant and surface protector.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Peroxide, bis(2,2,3,3,4,4,5,5,5-nonafluoro-1-oxopentyl)Nonafluoropentanoic anhydride 2-Thiophenecarboxylic acid hydrazide 1,1,1,2,2,3,3,4,4-Nonafluor-4-iodbutan Valeriansure Nitroanilin (p)Hexafluorglutarsure Wasser 1,1,2,2,3,3,4,4,4-Nonafluorbutan-1-sulfonsure Perfluorhex-1-en Valeriansureanhydrid

Nachgelagerte Produkte

Heptafluorbuttersure Carbonyldifluorid Perfluoroctan

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

常州新氟化学有限公司13275212658 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: Perfluoropentanoic acid is a monocarboxylic acid that is perfluorinated pentanoic acid. It has a role as an environmental contaminant and a xenobiotic. It is functionally related to a valeric acid.

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