CAS 2923-16-2 Potassium trifluoroacetate (HCID 23662811)

基本情報

CAS: 2923-16-2
標準SMILES: O=C([O-])C(F)(F)F.[K+]
InChIKey: CUNPJFGIODEJLQ-UHFFFAOYSA-M
分子式: C2F3KO2
平均分子量: 152.11 g/mol
単同位体質量: 151.94874558

名称と識別子

優先名称: Potassium trifluoroacetate
IUPAC: potassium 2,2,2-trifluoroacetate
現地名: トリフルオロ酢酸カリウム
英語名: Potassium trifluoroacetate
分子式: C2F3KO2
分子量: 152.11

名称と別名

Potassium trifluoroacetate2923-16-2EINECS 220-877-5DTXSID00951841EC 220-877-5RefChem:175633DTXCID601379949220-877-5potassium 2,2,2-trifluoroacetateTrifluoroacetic acid potassium saltpotassium;2,2,2-trifluoroacetateAcetic acid, trifluoro-, potassium salt

名称をさらに表示

トリフルオロ酢酸カリウムトリフルオロ酢酸カリウム塩トリフルオロ酢酸カリウム, 98%カリウム 2,2,2-トリフルオロアセタート2018-APotassiumtrifluoridePotassiumTrifluoroacetate>Potassiumtrifluoroacetate98%Potassium trifluoroacetate 98%TRIFLUOROACETIC ACID POTASSIUM13C]-Potassium trifluoroacetate salt

MFCD00013215Acetic acid, 2,2,2-trifluoro-, potassium salt (1:1)Trifluoroacetic acid, potassium saltC2F3KO2SCHEMBL108536AKOS015893280AS-68697Q61083505

データベース識別子

CAS: 2923-16-2
PubChem CID: 23662811
DTXSID: DTXSID00951841
UNII: 3C6W4RK9EJ
EC Number: 220-877-5
Nikkaji: J22.489H

物性

構造計算による物性

極性表面積: 40.1 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 0
重原子数: 8
形式電荷: 0
複雑度: 87.8

実験および物理化学的性質

PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

物理化学的性質

融点: 140 · 140-142 °C (lit.)
比重(密度): 1.49 g/mL · 1.49 g/mL (lit.)
蒸気圧: 0 Pa · 0Pa at 25℃
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: 2 O: · H2O: 0.1 g/mL 無色透明
外見: 個体
比重: 1.49 · 1.49
色: 白色～淡黄色
水溶解度: 水に溶ける。
BRN: 3717603 · 3717603
安定性: 非常に吸湿性
InChI: 1S/C2HF3O2.K/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1
InChIKey: CUNPJFGIODEJLQ-UHFFFAOYSA-M
SMILES: [K+].[O-]C(=O)C(F)(F)F
LogP: -3.12 at · -3.12 at 20℃
CAS データベース: 2923 · 2923-16-2(CAS DataBase Reference)
EPAの化学物質情報: 2 · Acetic acid, 2,2,2-trifluoro-, potassium salt (1:1) (2923-16-2)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H300 (49.4%): Fatal if swallowed [Danger Acute toxicity, oral]

P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 81 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 22-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10429

Hazard Classes and CategoriesAcute Tox. 2 (49.4%)

安全データ

F: 3-10
wgk: 3
tsca: No
ridadr: 3288
hs_code: 29159000
risk_code: 36/37/38-50-28
hazard_code: Xi,N,T+
hazard_note: Irritant/Hygroscopic
safety_code: 26-36-61-45-22-20-37
hazard_class: 6.1
packing_group: II
Hazard Classifications: Aquatic Chronic 3
ストレージクラス: 13 - Non Combustible Solids

化学と産業

応用分野

使用It is a reagent for preparation of aryl trifluoromethyl sulfides, by heating with the diaryl disulfide.

調製方法 · 1 件

純化方法To purify it, dissolve the salt in trifluoroacetic acid with ca 2% of trifluoroacetic anhydride, filter it and evaporate it carefully to dryness (avoid over heating), and finally dry it in a vacuum at 100o. It can be recrystallised from trifluoroacetic acid (solubility in the acid is ca 50.1%). [Simons & Lorentzen J Am Chem Soc 74 4746 1952, Hara & Cady J Am Chem Soc 76 4285 1954, Watt & Muga J Inorg Nucl Chem 9 166 1959, Beilstein 2 IV 458.]