2,2,3,3,3-펜타플루오로-1-프로판올
2,2,3,3,3-Pentafluoropropanol
기본 정보
- CAS
422-05-9- 표준 SMILES
OCC(F)(F)C(F)(F)F- InChIKey
PSQZJKGXDGNDFP-UHFFFAOYSA-N- 분자식
- C3H3F5O
- 평균 분자량
- 150.05 g/mol
- 단동위원소 질량
- 150.01040553
이름 및 식별자
- 우선 이름
- 2,2,3,3,3-Pentafluoropropanol
- IUPAC
- 2,2,3,3,3-pentafluoropropan-1-ol
- 현지명
- 2,2,3,3,3-펜타플루오로-1-프로판올
- 영어명
- Pentafluoro-1-propanol
- 분자식
- C3H3F5O
- 분자량
- 150.05
이름 및 동의어
2,2,3,3,3-Pentafluoro-1-propanol422-05-92,2,3,3,3-PENTAFLUOROPROPANOL1,1-Dihydroperfluoropropanol1-Propanol, 2,2,3,3,3-pentafluoro-EPJ1S961SNNSC-66413RefChem:440568207-012-72,2,3,3,3-pentafluoropropan-1-olPentafluoro-1-propanol1H,1H-Pentafluoropropanol
이름 더 보기
2,2,3,3,3-펜타플루오로-1-프로판올2,2,3,3,3-펜타플루오로-1-프로판올(2,2,3,3,3-PENTAFLUORO-1-PROPANOL)펜타플루오로-1-프로판올PFPOHPENTAFLUOROPROPANOL1,1H-perfluoropropanolPentafluoropropylalcohol
C2F5CH2OHMFCD00004673NSC 664131H,1H-PENTAFLUOROPROPAN-1-OL1H,1H-perfluoropropanol2:1 Fluorotelomer alcoholPERFLUORODIHYDROPROPANOL1H,1H-Pentafluoro-1-propanol
데이터베이스 식별자
- CAS
422-05-9、70983-62-9- PubChem CID
- 9872
- DTXSID
DTXSID4059966- ChEMBL
CHEMBL4457653- UNII
- EPJ1S961SN
- EC Number
- 207-012-7
- Nikkaji
- J43.131A
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 94.9
실험 및 물리화학적 성질
Chemical Classes
Other Classes -> Halogenated Alcohols
Ionic Liquids -> Fluorinated Ionic Liquids
Ionic Liquids
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> F-telomer alcohols (FTOH)
PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
SpringerMaterials PropertiesBoiling point
LogP1.23
Physical DescriptionLiquid; [Alfa Aesar MSDS]
물리화학적 성질
- 끓는 점
- 80 °C748 · 80 °C748 mm Hg(lit.)
- 밀도
- 1.505 g/mL · 1.505 g/mL at 25 °C(lit.)
- 증기압
- 62.055 · 62.055-324.857hPa at 24.93-54.78℃
- 굴절률
- 20 · n20/D 1.288(lit.)
- 인화점
- 80 · 80-81°C
- 저장 조건
- Flammables area
- 물리적 상태
- 분말, 결정 및/또는 덩어리
- 산도 계수 (pKa)
- 12.45 · 12.45±0.10(Predicted)
- Specific Gravity
- 1.509 · 1.509
- 색상
- 흰색에서 황백색, 연한 노란색까지
- 수용성
- 25 °C에서 · 물에 용해됩니다. 25°C에서 21.9g/L
- BRN
- 1743133 · 1743133
- Henry's Law Constant
- 1.4 · 1.4×10-1 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
- InChI
- 1S/C3H3F5O/c4-2(5,1-9)3(6,7)8/h9H,1H2
- InChIKey
- PSQZJKGXDGNDFP-UHFFFAOYSA-N
- SMILES
- OCC(F)(F)C(F)(F)F
- LogP
- 1.23 · 1.23
- NIST
- 2 · 2,2,3,3,3-Pentafluoro-1-propanol(422-05-9)
- EPA
- 1 · 1-Propanol, 2,2,3,3,3-pentafluoro- (422-05-9)
화학적 성질
clear colorless to slightly yellow liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (92.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 53 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 1-Propanol, 2,2,3,3,3-pentafluoro-
REACH registered substance: 2,2,3,3,3-pentafluoropropanol (EC: 207-012-7)
Hazards SummaryCauses general anesthesia, gastrointestinal changes, and lung changes in oral lethal-dose studies of rats; [RTECS] A skin and strong eye irritant; Toxic by ingestion; [Alfa Aesar MSDS] See Trifluoroethanol and 1,3-Dichloro-2-propanol.
Hazard Classes and CategoriesAcute Tox. 4 (92.5%)
독성 정보
Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLC50 (mouse) = 10,0000 mg/m3
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UB8800000
- ridadr
- 1987
- 독성
- LDLo orl-rat: 2250 mg/kg JOCMA7 4,262,62
- HS 번호
- 29055900
- risk_code
- 22-36/37/38-20-10
- hazard_code
- Xn,Xi
- safety_code
- 26-36-36/37/39-16
- 위험 등급
- IRRITANT
- 기존화학 물질
- KE-27941
- Hazard Classifications
- Acute Tox. 4 OralSTOT RE 2 Inhalation
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
Use ClassificationPFAS -> F-telomer alcohols (FTOH)
General Manufacturing Information1-Propanol, 2,2,3,3,3-pentafluoro-: ACTIVE
응용 분야
용도2,2,3,3,3-Pentafluoro-1-Propanol is a useful reagent for the preparation of (oxoindolinyl)ethers/benzoates via photochemical O-H functionalization reactions of cyclic diazoamides.
일반 설명2,2,3,3,3-Pentafluoro-1-propanol is an alternative cleaning agent for chlorofluorocarbon.
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하류 제품
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