トリフルオロメタンスルホン酸ハフニウム(IV)

Hafnium(IV) Trifluoromethanesulfonate

HCID 9853707

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 161337-67-3
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.O=S(=O)([O-])C(F)(F)F.[Hf+4]
InChIKey: BQYMOILRPDTPPJ-UHFFFAOYSA-J
分子式: C4F12HfO12S4
平均分子量: 774.8 g/mol
単同位体質量: 775.75464808

名称と識別子

優先名称: Hafnium(IV) Trifluoromethanesulfonate
IUPAC: hafnium(4+);tetrakis(trifluoromethanesulfonate)
現地名: トリフルオロメタンスルホン酸ハフニウム(IV)
英語名: HAFNIUM TRIFLUOROMETHANESULFONATE
分子式: CHF3HfO3S
分子量: 328.56

名称と別名

Hafnium(IV) TrifluoromethanesulfonateRefChem:783348624-948-5161337-67-3HAFNIUM TRIFLUOROMETHANESULFONATEHafnium(IV) triflateMFCD01321255Trifluoromethanesulfonic Acid Hafnium(IV) Salthafnium(4+);trifluoromethanesulfonateHafnium (IV) trifluoromethanesulfonateHafnium triflateHAFNIUM (IV) TRIFLUOROMETHANESULPHONATE

名称をさらに表示

トリフルオロメタンスルホン酸ハフニウム(IV)ハフニウム(IV)トリフラートトリフルオロメタンスルホン酸ハフニウムハフニウム(IV)トリフルオロメタンスルホナート水和物トリフルオロメタンスルホン酸ハフニウム, 98%Hf(OTf)4Hafnium trifHafnium trifluoromethanesulphonateHAFNIUM TRIFLUOROMETHANESULFONATE HYDRAT EHafnium(IV) trifluoromethanesulphonate 98%

C4F12HfO12S4SCHEMBL473262DTXSID201336882AKOS015853193FH60989SY073356F009255

データベース識別子

CAS: 161337-67-3
PubChem CID: 9853707
DTXSID: DTXSID201336882
EC Number: 624-948-5
Nikkaji: J714.329J

物性

構造計算による物性

極性表面積: 262 Å²
水素結合供与体数: 0
水素結合受容体数: 24
回転可能結合数: 0
重原子数: 33
形式電荷: 0
複雑度: 145

物理化学的性質

融点: 350 °C · >350 °C(lit.)
闪点: None
貯蔵温度: 2 · 2-8°C, protect from light, stored under nitrogen
溶解性: シアン化メチル、ジクロロメタン、ジクロロエタン、ニトロメタン、ジオキサン、テトラヒドロフラン、トルエンに可溶。
外見: powder to crystal
色: White to Light yellow
InChI: 1S/4CHF3O3S.Hf/c4*2-1(3,4)8(5,6)7;/h4*(H,5,6,7);/q;;;;+4/p-4
InChIKey: BQYMOILRPDTPPJ-UHFFFAOYSA-J
SMILES: FC(F)(F)S(=O)(=O)O[Hf](OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
CAS データベース: 161337 · 161337-67-3(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (97.8%)

安全データ

wgk: 3
ridadr: UN 1759 8/PG III
hs_code: 29049090
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
hazard_class: 8
packing_group: III
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

使用Hafnium trifluoromethanesulfonate is a recyclable catalyst for the mononitration of o-nitrotoluene. It serves as a catalyst for homogeneous methoxycarbonylation and hydrocarboxylation reactions of phenylacetylene. It is also used as a reactant for direct Friedel-Crafts reactions of chromene hemiacetals, aminomethylation reactions under Lewis acidic conditions and prins-type cyclization reactions. It is also involved in the direct polycondensation of lactic acid. Further, it is used in cationic benzylation reactions, chemoselective thioacetalization and transthioacetalization of carbonyl compounds.

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