Pentafluoropropionic acid (HCID 62356)

개요

ion pairing reagent; RN given refers to parent cpd

이름 및 식별자

우선 이름: Pentafluoropropionic acid
IUPAC: 2,2,3,3,3-pentafluoropropanoic acid
영어명: Perfluoropropionic acid
분자식: C3HF5O2
분자량: 164.03

이름 및 동의어

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)

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 147

실험 및 물리화학적 성질

Chemical Classes · 2건

Ionic Liquids -> Fluorinated Ionic Liquids

Ionic Liquids

PFAS · 6건

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]

물리화학적 성질

끓는 점: 96 · 96-97 °C (lit.)
밀도: 1.561 g/mL · 1.561 g/mL at 25 °C (lit.)
증기 밀도: 5.6 · ~5.6 (vs air)
증기압: 40 mm · ~40 mm Hg ( 20 °C)
굴절률: 20 · n20/D 1.284(lit.)
인화점: None
저장 조건: 30 °C · Store below +30°C.
수용성: 물에 용해됨
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 0.38 · 0.38±0.10(Predicted)
물리적 상태: 액체
색상: 투명한 무색~약간 갈색
Specific Gravity: 1.561 · 1.561
BRN: 1773387 · 1773387
Henry's Law Constant: 8.8 · 8.8×100 mol/(m3Pa) at 25℃, Kwan (2001)
안정성: 흡습성
주요 응용: PFAS 테스트
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
NIST: Pentafluoropropionic acid(422-64-0)
EPA: Pentafluoropropionic acid (422-64-0)

화학적 성질 · 1건

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.

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 2건

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%)

독성 정보

RAIS Toxicity Values · 2건

0.0005

ORD Current

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

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 · 6건

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 · 6건

1.20e+02

1.80e+03

2.90e+01

4.00e-03

5.00e-04

Volatile

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: UF6475000
ridadr: UN 3265 8/PG 2
독성: LD10 orl-rat: 750 mg/kg GTPZAB10(3),13,66
HS 번호: 29159080
risk_code: 20-34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
F 고인화성물질: 3
위험 참고 사항: Corrosive
Hazard Classifications: Acute Tox. 3 InhalationEye Dam. 1Met. Corr. 1Skin Corr. 1B
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

용도 및 제조

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

응용 분야 · 3건

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

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

일반 설명The kinetics of the reaction of pentafluoropropionic acid with fluorine atoms was studied.