ペンタフルオロフェノール

Pentafluorophenol

HCID 13041CAS 771-61-9
部分構造検索類似構造を探す

基本情報

標準SMILES
Oc1c(F)c(F)c(F)c(F)c1F
InChIKey
XBNGYFFABRKICK-UHFFFAOYSA-N
分子式
C6HF5O
平均分子量
184.06 g/mol
単同位体質量
183.99475546

名称と識別子

優先名称
Pentafluorophenol
IUPAC
2,3,4,5,6-pentafluorophenol
現地名
ペンタフルオロフェノール
英語名
Pentafluorophenol
分子式
C6HF5O
分子量
184.06

名称と別名

PENTAFLUOROPHENOL771-61-92,3,4,5,6-PentafluorophenolPhenol, pentafluoro-A2YCF0YUHANSC-21627DTXSID9061120RefChem:859814DTXCID1047946212-235-8PerfluorophenolC6HF5O
名称をさらに表示
ペンタフルオロフェノール2,3,4,5,6-ペンタフルオロフェノールペルフルオロフェノール2,3,4,5,6-ペンタフルオロフェノルペンタフルオロフェノ-ルペンタフルオロフェノール, 0.2 mg/mL in CH2Cl2ペンタフルオロフェノール, 99%PFPPFP-OHHOPFPPentaflurophenolPENTAFLUORPHENOLHPLH2)
MFCD00002156C6F5OH2,3,4,5,6-pentakis(fluoranyl)phenolpentafluorohydroxybenzeneUNII-A2YCF0YUHAEINECS 212-235-8NSC 216272,3,4,5,6-pentafluorohydroxybenzene

データベース識別子

CAS
771-61-9
PubChem CID
13041
DTXSID
DTXSID9061120
UNII
A2YCF0YUHA
EC Number
212-235-8
Nikkaji
J34.564D

物性

構造計算による物性

XLogP
3.2
極性表面積
20.2 Ų
水素結合供与体数
1
水素結合受容体数
6
回転可能結合数
0
重原子数
12

実験および物理化学的性質

Physical DescriptionWhite crystalline solid with an odor of phenol; mp = 32-36 deg C; [Alfa Aesar MSDS]
Ionization Efficiency · 6 件

Negative

0.91

10.5

Agilent XCT

Electrospray ionization

ammonia (10nM)

物理化学的性質

融点
34 · 34-36 °C (lit.)
沸点
143 °C · 143 °C (lit.)
比重(密度)
1.757 · 1.757
屈折率
1.427 · 1.4270
闪点
162 °F · 162 °F
貯蔵温度
30 °C · Store below +30°C.

化学的性質

化学的特性White solid

安全と法規制

GHS分類

GHS Classification · 6 件

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]；H312 (24.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (13.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (69%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (70.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (70.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.；Reported as not meeting GHS hazard criteria per 4 of 58 reports by companies.；There are 11 notifications provided by 54 of 58 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 25-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/28416

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%)；Acute Tox. 4 (24.1%)；Skin Corr. 1B (13.8%)；Skin Irrit. 2 (69%)；Eye Irrit. 2 (70.7%)；STOT SE 3 (70.7%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

法規制情報

Regulatory Information · 2 件

Status: Active Update: 25-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/28416

Pentafluorophenol: Does not have an individual approval but may be used under an appropriate group standard

安全データ

F
3
wgk
3
tsca
TSCA listed
rtecs
SM6680000
ridadr
2811
毒性
LD50 scu-rat: 322 mg/kg IZSBAI 3,91,65

化学と産業

用途と製造

General Manufacturing InformationPhenol, 2,3,4,5,6-pentafluoro-: ACTIVE
応用分野 · 2 件

使用Pentafluorophenol 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.

一般的な説明Pentafluorophenol 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.

調製方法 · 1 件

純化方法Pentafluorophenol is a hygroscopic low melting solid not freely soluble in H2O. Purify it by distillation, preferably in a vacuum [Forbes et al. J Chem Soc 2019 1959, IR and pKa: Birchall & Haszeldine J Chem Soc 13 1959]. IRofafilmhas max 3600 (OH) and 1575 (fluoroaromatic breathing) cm-1 . The benzoyl derivative has m 74-75o, 3,4-dinitrobenzoyl derivative has m 107o, the tosylate has m 64-65o (from EtOH) and the K salt crystallises from Me2CO, m 242o(dec), with 1H2O-salt the m is 248o(dec) and the 2H2O-salt has m 245o(dec). [Beilstein 6 IV 782.]

上流・下流製品情報

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上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

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