Pentafluoropropionic acid
기본 정보
- CAS
422-64-0- 표준 SMILES
O=C(O)C(F)(F)C(F)(F)F- InChIKey
LRMSQVBRUNSOJL-UHFFFAOYSA-N- 분자식
- C3HF5O2
- 평균 분자량
- 164.03 g/mol
- 단동위원소 질량
- 163.98967037
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 Ų
- 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
Ionic Liquids -> Fluorinated Ionic Liquids
Ionic Liquids
PFAS
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 Ų [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)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
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
0.0005
ORD Current
USGS Health-Based Screening Levels for Evaluating Water-Quality
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
3.90e+01
5.80e+02
9.80e+00
4.00e-03
2.10e-03
5.00e-04
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
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.
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하류 제품
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