CAS 88189-03-1 Bi(OTf)3 (HCID 9917655)

基本情報

CAS: 88189-03-1
標準SMILES: O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Bi+3]
InChIKey: NYENCOMLZDQKNH-UHFFFAOYSA-K
分子式: C3BiF9O9S3
平均分子量: 656.2 g/mol
単同位体質量: 655.83647

名称と識別子

優先名称: Bi(OTf)3
IUPAC: bismuth tris(trifluoromethanesulfonate)
現地名: トリフルオロメタンスルホン酸ビスマス(III)
英語名: Bismuth(III) trifluoromethanesulfonate
分子式: 3CF3O3S.Bi
分子量: 656.18

名称と別名

Bismuth Trifluoromethanesulfonatebismuth(iii) triflateRefChem:569505Bi(OTf)3Bismuth(III) trifluoromethanesulfonate88189-03-1Bismuth triflatebismuth;trifluoromethanesulfonateBismuth(3+) triflateBismuth triflate [MI]Bismuth tris(trifluoromethanesulfonate)Bismuth(3+) trifluoromethanesulfonate

名称をさらに表示

トリフルオロメタンスルホン酸ビスマス(III)トリフルオロメタンスルホン酸ビスマス(III), MINビスマス(III)トリフルオロメタンスルホナートトリフルオロメタンスルホン酸ビスマス(III), 99%トリフルオロメタンスルホン酸ビスマス(III), min. 98%BISMUTH(III)TRIFLATEBISMUTH(III)TRIFLUOROMETHANESULPHONATEBisMuth(Ⅲ) trifluoroMethanesulfonateBismuth(III) trifluoromethanesulfonatTrifluoromethanesulfonicacidbismuthsalt

MFCD02093669UNII-51KD8E1741C3BiF9O9S351KD8E1741Methanesulfonic acid, 1,1,1-trifluoro-, bismuth(3+) salt (3:1)Bismuth(III)trifluoromethanesulfonateBismuth(III) Trifluoromethanesulfonate (3:1)bismuth (III) triflate

データベース識別子

物性

構造計算による物性

極性表面積: 197 Å²
水素結合供与体数: 0
水素結合受容体数: 18
回転可能結合数: 0
重原子数: 25
形式電荷: 0
複雑度: 145

物理化学的性質

融点: 300 °C · 300 °C
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: 有機アセトニトリル、ジオキサン、ジメチルホルムアミド、ジメチルスルホキシドに可溶。
外見: 液体
色: 無色透明
安定性: 吸湿性
InChI: InChI=1S/3CHF3O3S.Bi/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3
InChIKey: HIYUMYXSGIKHHE-UHFFFAOYSA-M
SMILES: C(F)(S([O-])(=O)=O)(F)F.C(F)(F)(F)S([O-])(=O)=O.C(F)(F)(F)S([O-])(=O)=O.[Bi+3]

化学的性質

化学的特性White powder

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (12.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (85.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (85.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (85.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, 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 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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

Hazard Classes and CategoriesSkin Corr. 1B (12.8%)；Skin Irrit. 2 (85.1%)；Eye Irrit. 2 (85.1%)；STOT SE 3 (85.1%)

安全データ

wgk: 3
tsca: No
hs_code: 29049090
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-24/25
hazard_class: 8
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

使用Bismuth(III) trifluoromethanesulfonate acts as a catalyst in Friedel-Crafts acylation and cycloisomerization of allene-enol ethers. It behaves as a direct substitution catalyst and involved in the substitution of allylic, propargylic, and benzylic alcohols with sulfonamides, carboxamides and carbamates. Further, it is also used in Mukaiyama aldol reactions.