CAS 17084-13-8 Potassium hexafluorophosphate (HCID 23688904)

基本情報

CAS: 17084-13-8
標準SMILES: F[P-](F)(F)(F)(F)F.[K+]
InChIKey: YZDGRYDIGCWVND-UHFFFAOYSA-N
分子式: F6KP
平均分子量: 184.0625 g/mol
単同位体質量: 183.92788745

名称と識別子

優先名称: Potassium hexafluorophosphate
IUPAC: potassium hexafluorophosphate
現地名: ヘキサフルオロりん酸カリウム
英語名: Potassium hexafluorophosphate
分子式: F6P.K
分子量: 184.06

名称と別名

Potassium hexafluorophosphate17084-13-8Monopotassium hexafluorophosphatePotassium phosphorus fluoridePhosphate(1-), hexafluoro-, potassiumPotassium hexafluorophosphate(1-)88W436PDI9EINECS 241-143-0NSC 404039AI3-16098DTXSID50884958Phosphate(1-), hexafluoro-, potassium (1:1)

名称をさらに表示

ヘキサフルオロりん酸カリウムヘキサフルオロりん酸カリウム六フッ化リン酸カリウムヘキサフルオロリン酸カリウム PURUM,≥98.0% (GRAVIMETRIC)ヘキサフルオロりん酸カリウム, 99.5%KPF6Potassium fluorophosphatePOTASSIUM HEXAFLUOROPHOSPHATE, 99.999%Potassium hexafLKaliumhexafluorophosphatPOTASSIUM HEXAFLUOROPHOSHATEPOTASSIUM HEXFLUOROPHOSPHATEPhosphate,hexafluoro-,potassium

NSC-404039RefChem:867838Potassium hexafluorophosphate(1)DTXCID801024374Phosphate(1), hexafluoro, potassium241-143-0Potassium fluophosphatepotassium;hexafluorophosphate

データベース識別子

CAS: 17084-13-8
PubChem CID: 23688904
DTXSID: DTXSID50884958
UNII: 88W436PDI9
EC Number: 241-143-0
Nikkaji: J3.807.079G

物性

構造計算による物性

極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 7
回転可能結合数: 0
重原子数: 8
形式電荷: 0
複雑度: 67

実験および物理化学的性質

Physical DescriptionWhite odorless powder; Hygroscopic; [Alfa Aesar MSDS]

物理化学的性質

融点: 575 °C · 575 °C (lit.)
沸点: 93 · decomposes [STR93]
比重(密度): 2.75 g/mL · 2.75 g/mL at 25 °C (lit.)
貯蔵温度: Refrigerator
溶解性: メタノール（微量）、水（可溶）
外見: 粉
比重: 2.55 · 2.55
色: 白い
水溶解度: 93 g/L · 93g/L（25℃）
安定性: 安定。強酸とは相容れない。熱分解により、HF、リン酸化物、およびホスフィンが生成される場合があります。
InChI: InChI=1S/F6P.K/c1-7(2,3,4,5)6;/q-1;+1
InChIKey: YZDGRYDIGCWVND-UHFFFAOYSA-N
SMILES: [P+5]([F-])([F-])([F-])([F-])([F-])[F-].[K+]
CAS データベース: 17084 · 17084-13-8(CAS DataBase Reference)
EPAの化学物質情報: Phosphate(1-), hexafluoro-, potassium (17084-13-8)

化学的性質

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 22.6% (60 of 265) of reports.

Danger

H302 (46.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (26.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H319 (50.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P330, P337+P317, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 265 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 60 of 265 reports by companies.；There are 12 notifications provided by 205 of 265 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: 29-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/23348；Status: Active Update: 03-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/19590

Potassium hexafluorophosphate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion, inhalation, and skin absorption; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (46.8%)；Skin Corr. 1B (26.8%)；Eye Irrit. 2 (50.2%)

化学と産業

用途と製造

General Manufacturing InformationPhosphate(1-), hexafluoro-, potassium (1:1): ACTIVE

応用分野 · 2 件

説明Potassium hexafluorophosphate, abbreviated as KPF6, is a associated electrolyte. In battery systems, it acts as an electrolyte additive in anode-less lithium metal batteries, lithium-sulphur batteries and solid-state batteries; by forming a protective shielding effect and modulating the solid-state electrolyte interface, it enhances cycling stability, ionic conductivity and electrochemical performance [1-3]. In perovskite solar cells, KPF6 is used as an interface modification material; by treating the SnO2 quantum dot/perovskite interface, it can passivate defects and enhance stable photoconversion efficiency [4].

使用A soluble neutral salt, Potassium hexafluorophosphate can be used for synthesis.

調製方法 · 2 件

製造方法Potassium hexafluorophosphate is prepared by reacting phosphorus pentachloride, potassium chloride, and hydrofluoric acid in liquid hydrogen fluoride. The reaction equation is: PCl₅ + KCl + 6HF → KPF₆ + 6HCl.

純化方法Crystallise it from alkaline aqueous solution, using polyethylene vessels, or from 95% EtOH, and dry it in a vacuum desiccator over KOH. [Kloditz Z Anorg Allgem Chem 284 144 1956, Kwasnik in Handbook of Preparative Inorganic Chemistry (Ed. Brauer) Academic Press Vol I p 196 1963.]