Pentafluoropropionic acid (HCID 62356)

概要

ion pairing reagent; RN given refers to parent cpd

名称と識別子

優先名称: Pentafluoropropionic acid
IUPAC: 2,2,3,3,3-pentafluoropropanoic acid
現地名: ペンタフルオロプロピオン酸
英語名: Perfluoropropionic acid
分子式: C3HF5O2
分子量: 164.03

名称と別名

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)

名称をさらに表示

ペンタフルオロプロピオン酸ペンタフルオロプロピオン酸 (約0.5mol/L水溶液) [イオン対試薬]ペルフルオロプロピオン酸ペンタフルオロプロパン酸2,2,3,3,3-ペンタフルオロプロパン酸2,2,3,3,3-ペンタフルオロプロピオン酸ペンタフルオロプロピオン酸 (約0.5mol/L水溶液) [イオン対試薬]ペルフルオロプロピオン酸 (約0.5mol/L水溶液)ペンタフルオロプロピオン酸, min. 97%ペルフルオロプロパン酸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

データベース識別子

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

物性

構造計算による物性

XLogP: 1.6
極性表面積: 37.3 Å²
水素結合供与体数: 1
水素結合受容体数: 7
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 147

実験および物理化学的性質

Chemical Classes · 2 件

Ionic Liquids -> Fluorinated Ionic Liquids

Ionic Liquids

PFAS · 6 件

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]

物理化学的性質

沸点: 96 · 96-97 °C (lit.)
比重(密度): 1.561 g/mL · 1.561 g/mL at 25 °C (lit.)
蒸気密度: 5.6 · ~5.6 (vs air)
蒸気圧: 40 mm · ~40 mm Hg ( 20 °C)
屈折率: 20 · n20/D 1.284(lit.)
闪点: None
貯蔵温度: 30 °C · Store below +30°C.
水溶解度: Soluble in water
溶解性: Chloroform (Slightly), Methanol (Slightly)
酸解離定数(Pka): 0.38 · 0.38±0.10(Predicted)
外見: 液体
色: 無色透明～微褐色
比重: 1.561 · 1.561
BRN: 1773387 · 1773387
Henry's Law Constant: 8.8 · 8.8×100 mol/(m3Pa) at 25℃, Kwan (2001)
安定性: 吸湿性
主な用途: PFAS検査
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 データベース: 422 · 422-64-0(CAS DataBase Reference)
NISTの化学物質情報: Pentafluoropropionic acid(422-64-0)
EPAの化学物質情報: Pentafluoropropionic acid (422-64-0)

化学的性質 · 1 件

化学的特性Perfluoropropionic acid (PFPrA[2]) or pentafluoropropionic acid is the perfluoroalkyl carboxylic acid with the formula CF3CF2CO2H. It is a clear colourless to slightly brown liquid that is strongly acidic and soluble in water and polar organic solvents.

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 2 件

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%)

毒性情報

RAIS Toxicity Values · 2 件

0.0005

ORD Current

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

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 件

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 件

1.20e+02

1.80e+03

2.90e+01

4.00e-03

5.00e-04

Volatile

安全データ

F: 3
wgk: 3
tsca: TSCA listed
rtecs: UF6475000
ridadr: UN 3265 8/PG 2
毒性: LD10 orl-rat: 750 mg/kg GTPZAB10(3),13,66
hs_code: 29159080
risk_code: 20-34
化審法: (2)-1182
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Hazard Classifications: Acute Tox. 3 InhalationEye Dam. 1Met. Corr. 1Skin Corr. 1B
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

用途と製造

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

応用分野 · 4 件

用途有機合成原料。

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

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

一般的な説明The kinetics of the reaction of pentafluoropropionic acid with fluorine atoms was studied.