펜타플루오로페놀
Pentafluorophenol
기본 정보
- CAS
771-61-9- 표준 SMILES
Oc1c(F)c(F)c(F)c(F)c1F- InChIKey
XBNGYFFABRKICK-UHFFFAOYSA-N- 분자식
- C6HF5O
- 평균 분자량
- 184.06 g/mol
- 단동위원소 질량
- 183.99475546
개요
RN given refers to parent cpd; structure given in first source
이름 및 식별자
- 우선 이름
- Pentafluorophenol
- IUPAC
- 2,3,4,5,6-pentafluorophenol
- 현지명
- 펜타플루오로페놀
- 영어명
- Pentafluorophenol
- 분자식
- C6HF5O
- 분자량
- 184.06
이름 및 동의어
PENTAFLUOROPHENOL771-61-92,3,4,5,6-PentafluorophenolPhenol, pentafluoro-A2YCF0YUHANSC-21627DTXSID9061120RefChem:859814DTXCID1047946212-235-8PerfluorophenolMFCD00002156
이름 더 보기
펜타플루오로페놀펜타플루오로페놀(PENTAFLUOROPHENOL)PFPPFP-OHHOPFPPentaflurophenolPENTAFLUORPHENOLHPLH2)
pentafluorohydroxybenzeneSofosbuvir Impurity 142,3,4,5,6-pentafluorohydroxybenzene2,3,4,5,6-pentakis(fluoranyl)phenolhydroxypentafluorobenzeneC6F5OHXBNGYFFABRKICK-UHFFFAOYSA-Phenol, 2,3,4,5,6-pentafluoro-
데이터베이스 식별자
- CAS
771-61-9- PubChem CID
- 13041
- DTXSID
DTXSID9061120- UNII
- A2YCF0YUHA
- EC Number
- 212-235-8
- Nikkaji
- J34.564D
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 150
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Phenols
SpringerMaterials PropertiesBoiling point
LogP2.96
Physical DescriptionWhite crystalline solid with an odor of phenol; mp = 32-36 deg C; [Alfa Aesar MSDS]
Ionization Efficiency
Negative
0.91
10.5
Agilent XCT
Electrospray ionization
ammonia (10nM)
물리화학적 성질
- 녹는점
- 34 · 34-36 °C (lit.)
- 끓는 점
- 143 °C · 143 °C (lit.)
- 밀도
- 1.757 · 1.757
- 굴절률
- 1.427 · 1.4270
- 인화점
- 162 °F · 162 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 저융점 결정성 고체
- 산도 계수 (pKa)
- 5.5 · 5.50±0.33(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 6.9% (4 of 58) of reports.
Danger
H302 (24.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 58 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
REACH registered substance: Pentafluorophenol (EC: 212-235-8)
Pentafluorophenol: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion and skin absorption; [Alfa Aesar MSDS] See 2-Fluorophenol. See Pentachlorophenol.
Hazard Classes and CategoriesAcute Tox. 4 (24.1%)
독성 정보
Adverse EffectsDermatotoxin - Skin burns.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SM6680000
- ridadr
- 2811
- 독성
- LD50 scu-rat: 322 mg/kg IZSBAI 3,91,65
화학 및 산업
용도 및 제조
General Manufacturing InformationPhenol, 2,3,4,5,6-pentafluoro-: ACTIVE
응용 분야
용도Pentafluorophenol is used in the preparation of pentafluorophenyl esters for peptide synthesis and vulcanized polymers. It is also used for peptide coupling and heterocyclic acid derivatives. It is involved in the preparation of pentafluorophenyl formate which acts as a formulating agent for amines and amino acids.
일반 설명Pentafluorophenol is widely used as a precursor in both solution and solid-phase peptide synthesis. It is also involved in the preparation of aromatic fluoro derivatives.
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