五氟苯酚 (HCID 13041)

名称与标识

首选名称: Pentafluorophenol
IUPAC: 2,3,4,5,6-pentafluorophenol
中文名: 五氟苯酚
英文名: Pentafluorophenol
分子式: C6HF5O
分子量: 184.06

名称与别名

PENTAFLUOROPHENOL771-61-92,3,4,5,6-PentafluorophenolPhenol, pentafluoro-A2YCF0YUHANSC-21627DTXSID9061120RefChem:859814DTXCID1047946212-235-8PerfluorophenolC6HF5O

展开更多名称

连接件五氟酚五氟苯酚全氟苯酚6-五氟苯酚SSI? 接头五氟苯酚溶液五氟苯酚 10G五氟苯酚,99%索菲布韦中间体6PFPPFP-OHHOPFPPentaflurophenolPENTAFLUORPHENOLHPLH2)

MFCD00002156C6F5OH2,3,4,5,6-pentakis(fluoranyl)phenolpentafluorohydroxybenzeneUNII-A2YCF0YUHAEINECS 212-235-8NSC 216272,3,4,5,6-pentafluorohydroxybenzene

数据库标识

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

性质

结构计算性质

XLogP: 3.2
极性表面积: 20.2 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 0
重原子: 12
形式电荷: 0
复杂度: 150

实验与物化性质

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

Ionization Efficiency · 6 条

Negative

0.91

10.5

Agilent XCT

Electrospray ionization

ammonia (10nM)

物理化学性质

熔点: 34 · 34-36 °C (lit.)
沸点: 143 °C · 143 °C (lit.)
密度: 1.757 · 1.757
折射率: 1.427 · 1.4270
闪点: 162 °F · 162 °F
储存条件: 30 °C · Store below +30°C.
溶解度: Chloroform (Slightly), Methanol (Slightly)
形态: Low Melting Crystalline Solid
酸度系数(pKa): 5.5 · 5.50±0.33(Predicted)
颜色: White to almost white
比重: 1.757 · 1.757
水溶解性: soluble
BRN: 1912584 · 1912584
稳定性: Stable. Incompatible with strong oxidizing agents, bases, acid chlorides, acid anhydrides.
InChI: 1S/C6HF5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
InChIKey: XBNGYFFABRKICK-UHFFFAOYSA-N
SMILES: Oc1c(F)c(F)c(F)c(F)c1F
CAS 数据库: 771 · 771-61-9(CAS DataBase Reference)
NIST化学物质信息: Phenol, pentafluoro-(771-61-9)
EPA化学物质信息: Pentafluorophenol (771-61-9)

化学性质

五氟苯酚在常温常压下为白色固体状，在水中有一定的溶解性。其具有显著的酸性，由于氟原子的强吸电子性质其酸性比单纯的苯酚要强很多。

安全与法规

GHS分类

GHS Classification · 6 条

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.

危害信息

Regulatory Information · 2 条

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%)

毒理信息

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

法规信息

Regulatory Information · 2 条

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

安全数据

F: 3
wgk: 3
tsca: TSCA listed
毒性: LD50 scu-rat: 322 mg/kg IZSBAI 3,91,65
RTECS号: SM6680000
hazard_note: Toxic/Irritant
包装类别: III
危险等级: 8
存储类别: 11 - Combustible Solids
安全说明: 26-36-45-36/37/39-36/37-24/25-23-53
海关编码: 29081000
危险品标志: Xi,T,C,Xn
危险性类别: Acute Tox. 4 DermalAcute Tox. 4 Oral
危险类别码: 36/37/38-34-20/21/22-63-43-23/24/25-45-67-40
危险品运输编号: 2811

化学与工业

用途与制造

General Manufacturing InformationPhenol, 2,3,4,5,6-pentafluoro-: ACTIVE

应用领域 · 5 条

简介五氟苯酚是多氟类液晶化合物，空间位阻小，是制备高性能液晶材料的重要中间体，特别适用于多氟类单体液晶材料的制备，多氟类单体液晶材料与低粘度和高介电各向异性向列型液晶材料混合使用后，可以增大分子的偶极距，减少响应时间, 改善液晶材料的显不性能，提尚清晰度,对生广尚性能液晶材料具有重要的义。

应用五氟苯酚是一种重要的中间体，主要应用于制备医药、液晶及高分子材料中间体，例如，在医药、农药领域中，五氟苯酚多用于制备多肽合成的五氟代苯基活性酯，从而促进肽健的形成，五氟代苯酚酯既可以用于多肽的固相合成，也可以用于液相合成，还可以用作氨基酸保护基烷基酯或磺酸基的保护基。

用途五氟苯酚作为生物可降解聚合物用于pga膜的合成。它还参与合成用于癌症分子MRI的大环Gd(III)螯合物。

用途医药、农药、液晶材料中间体

用途制备五氟苯酯，用于肽合成

上下游产品信息

上游原料

2,2-二羟甲基丁酸 2,3,4,5,6-五氟回香醚 5-甲基-5-烯丙氧基羰基-1,3-二恶烷-2-酮氯五氟苯双(五氟苯基)碳酸五氟苯硼酸 2,3,4,5,6-五氟苯胺 2,3,4,5-四氟邻苯二酚乙氧基五氟苯乙醇

下游产品

5-METHYL-5-PROPARGYLOXYCARBONYL-1,3-DIOXANE-2-ONE 2,3,5,6-四氟苯酚 N-芴甲氧羰基甘氨酸五氟苯酯

试剂价格

A15574 · 100g: 五氟苯酚, 99%Pentafluorophenol, 99% — 2845元
14713 · 5g: 五氟苯酚Pentafluorophenol, 99+%, Thermo Scientific Chemicals — 459元

供应商50 家

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

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]

关联笔记

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五氟苯酚

基本信息