ジフェニルアンモニウムトリフルオロメタンスルホナート

Diphenylammonium Trifluoromethanesulfonate

HCID 11209371

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 164411-06-7
標準SMILES: O=S(=O)([O-])C(F)(F)F.c1ccc([NH2+]c2ccccc2)cc1
InChIKey: MGEGQAUINMTPGX-UHFFFAOYSA-N
分子式: C13H12F3NO3S
平均分子量: 319.3 g/mol
単同位体質量: 319.0489989

名称と識別子

優先名称: Diphenylammonium Trifluoromethanesulfonate
IUPAC: diphenylazanium;trifluoromethanesulfonate
現地名: ジフェニルアンモニウムトリフルオロメタンスルホナート
英語名: Diphenylammonium Trifluoromethanesulfonate
分子式: C13H12F3NO3S
分子量: 319.3

名称と別名

Diphenylammonium Trifluoromethanesulfonate164411-06-7DTXSID00458885RefChem:338972DTXCID30409704679-776-3diphenylammonium triflatediphenylazanium;trifluoromethanesulfonateDiphenylammoniumTrifluoromethanesulfonateDPAT Diphenylammonium TrifluoromethanesulfonateDiphenylammonium Triflate, 97%AKOS015853059

名称をさらに表示

ジフェニルアンモニウムトリフルオロメタンスルホナートDPATiphenylazanium,trifluoromethanesulfonateDiphenylammoniumTrifluoromethanesulfonate>DPAT DiphenylaMMoniuM TrifluoroMethanesulfonateDiphenylammonium Trifluoromethanesulfonate ISO 9001：2015 REACHMethanesulfonic acid, 1,1,1-trifluoro-, compd. with N-phenylbenzenamine (1:1)

N-Phenylanilinium trifluoromethanesulfonateN-phenylaniline;trifluoromethanesulfonic acidD3683

データベース識別子

CAS: 164411-06-7
PubChem CID: 11209371
DTXSID: DTXSID00458885
EC Number: 679-776-3

物性

構造計算による物性

極性表面積: 82.2 Å²
水素結合供与体数: 1
水素結合受容体数: 6
回転可能結合数: 2
重原子数: 21
形式電荷: 0
複雑度: 261

物理化学的性質

融点: 169 · 169-170 ºC
貯蔵温度: 2 · 2-8°C
外見: powder to crystal
色: White to Almost white
InChI: InChI=1S/C12H11N.CHF3O3S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1(3,4)8(5,6)7/h1-10,13H;(H,5,6,7)
InChIKey: MGEGQAUINMTPGX-UHFFFAOYSA-N
SMILES: S(=O)(O)(=O)C(F)(F)F.C1=CC=C(NC2C=CC=CC=2)C=C1

化学的性質

化学的特性White powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): 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 39 reports by companies from 2 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 (100%)

安全データ

wgk: 3
hs_code: 29214990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
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 · 2 件

使用Efficient catalyst for greener synthesis of esters by condensation of carboxylic acids with alcohols or transfesterification.Diphenylammonium triflate (DPAT): efficient catalyst for esterification of carboxylic acids and for transesterification of carboxylic esters with nearly equimolar amounts of alcohols

一般的な説明This product has been enhanced for catalytic efficiency.

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化合物ノート

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