Pentafluoropropionic acid
PENTAFLUOROPROPIONIC ACID · PERFLUOROPROPANOIC ACID · 2,2,3,3,3-Pentafluoropropanoic acid · Pentafluoropropanoic acid · Pentafluoropropionic acid (PFPA) · 2,2,3,3,3-PENTAFLUOROPROPIONIC ACID · IPC-PFFA-3 · uoropropionic Acid
식별자 및 물리적 특성
| CAS No. | 422-64-0 |
|---|---|
| 분자식 | C3HF5O2 |
| 평균 분자량 | 164.03 g/mol |
| 단동위원소 질량 | 163.98967037 g/mol |
| SMILES | O=C(O)C(F)(F)C(F)(F)F |
| InChIKey | LRMSQVBRUNSOJL-UHFFFAOYSA-N |
| PubChem CID | 62356 |
| EC No. | 207-021-6 |
| DTXSID | DTXSID8059970 |
화학 및 물리적 성질
| XLogP | 1.6 |
|---|---|
| 극성 표면적 | 37.3 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 7 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 147 |
| 물질 분류 | Ionic Liquids -> Fluorinated Ionic Liquids |
| PFAS | PFAS -> Perfluorocarboxylic acidsPFAS -> Other/unspecifiedPFAS -> Ultra Short Chain PFcarboxylic acidsPFAS -> non-polymer |
| SpringerMaterials Properties | Diamagnetic susceptibility |
| Collision Cross Section | 115.1 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: PFAS] |
| 끓는 점 | 96-97 °C (lit.) |
| 밀도 | 1.561 g/mL at 25 °C (lit.) |
| 증기 밀도 | ~5.6 (vs air) |
| 증기압 | ~40 mm Hg ( 20 °C) |
| 굴절률 | n20/D 1.284(lit.) |
| 인화점 | None |
| 저장 조건 | Store below +30°C. |
| 용해도 | 물에 용해됨 |
| 용해도 | 클로로포름(약간 용해됨), 메탄올(약간 용해됨) |
| pKa(산도 계수) | 0.38±0.10(Predicted) |
| 물리적 상태 | 액체 |
| 색상 | 투명한 무색~약간 갈색 |
| 비중 | 1.561 |
| BRN | 1773387 |
| 헨리 상수 | 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
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 | DangerH314 (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. |
|---|---|
| 규제 정보 | 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 Categories | Skin Corr. 1B (100%) |
| RAIS Toxicity Values | 0.0005ORD Current |
| USGS Health-Based Screening Levels for Evaluating Water-Quality | Perfluoropropanoic acid (PFPrA)PFAS3The HBSL is based on the Noncancer RfD from Office of Research and DevelopmentSmith, 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 | 3.90e+015.80e+029.80e+004.00e-032.10e-035.00e-04 |
| Hazard Quotient Level 3 or Cancer Risk Level 1E-04 | 1.20e+021.80e+032.90e+014.00e-035.00e-04Volatile |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | UF6475000 |
| 운송 번호(UN) | UN 3265 8/PG 2 |
| 독성 | LD10 orl-rat: 750 mg/kg GTPZAB10(3),13,66 |
| 관세 코드 | 29159080 |
| 위험 문구(R) | 20-34 |
| 위험 표시 | C |
| 안전 문구(S) | 26-36/37/39-45 |
| 포장분류 | III |
| 위험 등급 | 8Acute Tox. 3 InhalationEye Dam. 1Met. Corr. 1Skin Corr. 1B |
| F 고인화성물질 | 3 |
| 위험 참고 사항 | Corrosive |
| 저장 분류 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
용도
용도
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.
용도
Pentafluoropropionic acid (Perfluoropropionic acid) was used in the analysis of gentamicin with Gemini column by liquid chromatographic (LC) methods.
일반 설명
The kinetics of the reaction of pentafluoropropionic acid with fluorine atoms was studied.