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128008-30-0 分子结构
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indium(3+) ion tritrifluoromethanesulfonate

ChemBase编号:97718
分子式:C3F9InO9S3
平均质量:562.0253288
单一同位素质量:561.75995156
SMILES和InChIs

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.[In+3]
Canonical SMILES:
FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.[In+3]
InChI:
InChI=1S/3CHF3O3S.In/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3
InChIKey:
UCYRAEIHXSVXPV-UHFFFAOYSA-K

引用这个纪录

CBID:97718 http://www.chembase.cn/molecule-97718.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
indium(3+) ion tritrifluoromethanesulfonate
IUPAC传统名
indium(3+) ion tritriflate
indium(3+) tritriflate
别名
三氟甲磺酸铟
三氟甲磺酸铟(III)
In(OTf)3
In(TFA)3
Indium(III) triflate
Trifluoromethanesulfonic acid indium(III) salt
Tris(trifluoromethanesulfonato)indium
Indium(III) trifluoromethanesulfonate
Indium trifluoromethanesulphonate 98%
Indium triflate
Indium(III) trifluoromethanesulfonate
CAS号
128008-30-0
MDL号
MFCD00144478
PubChem SID
24867732
162084281
PubChem CID
2734680

理论计算性质

理论计算性质

JChem
Acid pKa -3.4301212  质子受体
质子供体 LogD (pH = 5.5) -1.2283616 
LogD (pH = 7.4) -1.2283617  Log P 1.1480371 
摩尔折射率 15.8602 cm3 极化性 7.460577 Å3
极化表面积 57.2 Å2 可自由旋转的化学键
里宾斯基五规则 false 

分子性质

分子性质

理化性质 安全信息 产品相关信息 生物活性(PubChem)
外观
Powder expand 查看数据来源
熔点
dec. expand 查看数据来源
保存注意事项
Corrosive/Hygroscopic expand 查看数据来源
Hygroscopic expand 查看数据来源
欧盟危险性物质标志
腐蚀性(Corrosive) 腐蚀性(Corrosive) (C) expand 查看数据来源
刺激性(Irritant) 刺激性(Irritant) (Xi) expand 查看数据来源
联合国危险货物编号
UN3261 expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
德国WGK号
3 expand 查看数据来源
联合国危险货物等级
8 expand 查看数据来源
联合国危险货物包装类别(PG)
II expand 查看数据来源
危险公开号
34 expand 查看数据来源
36/37/38 expand 查看数据来源
安全公开号
26-36 expand 查看数据来源
26-36/37/39-45 expand 查看数据来源
TSCA收录
expand 查看数据来源
GHS危险品标识
GHS05 expand 查看数据来源
GHS07 expand 查看数据来源
GHS警示词
Warning expand 查看数据来源
GHS危险声明
H314-H318 expand 查看数据来源
H315-H319-H335 expand 查看数据来源
GHS警示性声明
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand 查看数据来源
P261-P305 + P351 + P338 expand 查看数据来源
个人保护装置
dust mask type N95 (US), Eyeshields, Gloves expand 查看数据来源
纯度
95+% expand 查看数据来源
99% min expand 查看数据来源
线性分子式
(CF3SO3)3In expand 查看数据来源

详细说明

详细说明

Sigma Aldrich Sigma Aldrich
Sigma Aldrich -  442151 external link
Application
Reagent used a Lewis acid catalyst in organic synthesis and as a co-catalyst in catalysis.
Reactant or reagent involved in:
• Synthesis of stable indium bacteriochlorins1
• Studying basicities of phosphoryl compounds toward triflates Lewis acids2
• Preparation of decahydroquinoline-type toxins via intramolecular hetero Diels-Alder reactions3Catalyst for synthesis of benzoxazoles via cyclocondensations4
包装
5, 25 g in glass bottle

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Effective catalyst for tetrahydropyranylation and depyranylation of alcohols: Tetrahedron Lett., 43, 7975 (2002).
  • For a brief feature on uses of this reagent in synthesis, see: Synlett, 899 (2003).
  • Catalyst for efficient acylation of alcohols, phenols and amines, which can be acetylated in high yield with 0.1 mol% of catalyst: Synlett, 1743 (1999).
  • Also catalyzes intramolecular Diels-Alder reactions, with microwave irradiation; the catalyst is potentially reusable: Tetrahedron Lett., 41, 8639 (2000).
  • Catalyzes the dehydration of aldoximes to nitriles; ketoximes undergo the Beckmann rearrangement to give amides or lactams: Indian J. Chem., 41B, 154 (2002).
  • Catalyst for hetero Diels-Alder reactions, e.g. of 1-Methoxy-3-trimethylsiloxy-1,3-butadiene, L14672 with imines: Tetrahedron Lett., 40, 5621 (1999):
  • Superior to Indium(III) chloride, L18758, for the sulfonylation of both activated and deactivated aromatic rings with arylsulfonyl chlorides: Synlett, 830 (2001).
  • Mild catalyst for the formation of 1,3-dithianes from carbonyl compounds with 1,3-Propanedithiol, A15261: Tetrahedron, 58, 7897 (2002), and of 1,3-oxathiolanes with 2-Mercaptoethanol, A15890: Synlett, 1535 (2002).
  • Superior to several other metal triflates in the Fridel-Crafts reaction of aromatic compounds with Methyl trifluoropyruvate, B21589: Synlett, 555 (2004).
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专利

专利

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

互联网资源

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