Pentafluoropropionic acid (HCID 62356)

Überblick

ion pairing reagent; RN given refers to parent cpd

Namen und Bezeichner

Bevorzugter Name: Pentafluoropropionic acid
IUPAC: 2,2,3,3,3-pentafluoropropanoic acid
Lokaler Name: Pentafluorpropionsure
Englischer Name: Perfluoropropionic acid
Summenformel: C3HF5O2
Molmasse: 164.03

Namen und Synonyme

Pentafluoropropionic acidPerfluoropropionic acid422-64-0Propanoic acid, pentafluoro-PERFLUOROPROPANOIC ACIDPropionic acid, pentafluoro-DTXSID8059970Propanoic acid, 2,2,3,3,3-pentafluoro-2,2,3,3,3-Pentafluoropropionic acidPFPrA perfluoropropionic acidRefChem:860295378-77-8 (Na salt)

Weitere Namen anzeigen

Pentafluoropropionic acid (PFPA)IPC-PFFA-3uoropropionic AcidRARECHEM AL BO 0422Pentafluorpropionsure

509-09-1 (Ag(1+) salt)207-021-6Pentafluoropropanoic acid2,2,3,3,3-Pentafluoropropanoic acidPFPrAC3HF5O2MFCD00004170QB53AX6MW4

Datenbank-Bezeichner

CAS: 422-64-0
PubChem CID: 62356
DTXSID: DTXSID8059970
UNII: QB53AX6MW4
EC Number: 207-021-6
Nikkaji: J35.371J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 147

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 -> Ultra Short Chain PFcarboxylic acids

PFAS -> Other/unspecified

PFAS

PFAS -> non-polymer

SpringerMaterials PropertiesDiamagnetic susceptibility

Collision Cross Section115.1 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: PFAS]

Physikochemische Eigenschaften

Siedepunkt: 96 · 96-97 °C (lit.)
Dichte: 1.561 g/mL · 1.561 g/mL at 25 °C (lit.)
Dampfdichte: 5.6 · ~5.6 (vs air)
Dampfdruck: 40 mm · ~40 mm Hg ( 20 °C)
Brechungsindex: 20 · n20/D 1.284(lit.)
Flammpunkt: None
storage temp.: 30 °C · Store below +30°C.
Wasserlöslichkeit: Soluble in water
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
pka: 0.38 · 0.38±0.10(Predicted)
Aggregatzustand: Liquid
Farbe: Clear colorless to slightly brown
Wichte: 1.561 · 1.561
BRN: 1773387 · 1773387
Henry's Law Constant: 8.8 · 8.8×100 mol/(m3Pa) at 25℃, Kwan (2001)
Stabilität: hygroscopic
Major Application: PFAS testing
InChI: 1S/C3HF5O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10)
InChIKey: LRMSQVBRUNSOJL-UHFFFAOYSA-N
SMILES: OC(=O)C(F)(F)C(F)(F)F
CAS Datenbank: 422 · 422-64-0(CAS DataBase Reference)
NIST chemische Informationen: Pentafluoropropionic acid(422-64-0)
EPA chemische Informationen: Pentafluoropropionic acid (422-64-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Propanoic acid, pentafluoro-

2,2,3,3,3-Pentafluoropropionic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Toxikologische Informationen

RAIS Toxicity Values · 2 Einträge

0.0005

ORD Current

USGS Health-Based Screening Levels for Evaluating Water-Quality · 5 Einträge

Perfluoropropanoic acid (PFPrA)

PFAS

3

The HBSL is based on the Noncancer RfD from Office of Research and Development

Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP

Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 · 6 Einträge

3.90e+01

5.80e+02

9.80e+00

4.00e-03

2.10e-03

5.00e-04

Hazard Quotient Level 3 or Cancer Risk Level 1E-04 · 6 Einträge

1.20e+02

1.80e+03

2.90e+01

4.00e-03

5.00e-04

Volatile

Sicherheitsdaten

F: 3
wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 29159080
RTECS-Nr.: UF6475000
risk_code: 20-34
Toxizität: LD10 orl-rat: 750 mg/kg GTPZAB10(3),13,66
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 InhalationEye Dam. 1Met. Corr. 1Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

Usesnon-polymer PFAS -> Textile and upholstery -> Textile and upholstery

Use ClassificationPFAS -> Ultra Short Chain PFcarboxylic acids

General Manufacturing InformationPropanoic acid, 2,2,3,3,3-pentafluoro-: ACTIVE

Anwendungen

VerwendenPentafluoropropionic acid is used as an efficient catalyst for the preparation of dibenzo[a, j] xanthenes by condensation reaction of beta-naphthol with aryl aldehydes.

VerwendenPentafluoropropionic acid (Perfluoropropionic acid) was used in the analysis of gentamicin with Gemini column by liquid chromatographic (LC) methods.