3a,4,7,7a-tetrahydro-2-(((trifluoromethyl)sulfonyl)oxy)-4,7-methano-1H-isoindole-1,3(2H)-dione

HCID 9901290

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 133710-62-0
標準SMILES: O=C1C2C3C=CC(C3)C2C(=O)N1OS(=O)(=O)C(F)(F)F
InChIKey: YCMDNBGUNDHOOD-UHFFFAOYSA-N
分子式: C10H8F3NO5S
平均分子量: 311.24 g/mol
単同位体質量: 311.00752802

概要

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名称と識別子

優先名称: 3a,4,7,7a-tetrahydro-2-(((trifluoromethyl)sulfonyl)oxy)-4,7-methano-1H-isoindole-1,3(2H)-dione
IUPAC: (3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl) trifluoromethanesulfonate
英語名: 5-Norbornene-2,3-dicarboximidyl trifluoromethanesulfonate
分子式: C10H8F3NO5S
分子量: 311.23

名称と別名

133710-62-0n-(trifluoromethanesulfonyloxy)-5-norbornene-2,3-dicarboximide1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl Trifluoromethanesulfonate1,3-Dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl trifluoromethanesulfonate3a,4,7,7a-tetrahydro-2-(((trifluoromethyl)sulfonyl)oxy)-4,7-methano-1H-isoindole-1,3(2H)-dione5-Norbornene-2,3-dicarboximidyl trifluoromethanesulfonateC10H8F3NO5SSCHEMBL107102Norbornenedicarboximidyl triflateDTXSID101346880MFCD34622967SY443843

名称をさらに表示

PAG4NRTFphotoacid generator IVN-(trifluoromethylsulfonyloxy)bic yclo[2.2.1]hept-5-ene-2,3-dicarbox yimide4,7-Methano-1H-isoindole-1,3(2H)-dione,3a,4,7,7a-tetrahydro-2-[[(trifluoromethyl)sulfonyl]oxy]-1,1,1-Trifluoromethanesulfonic acid 1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl esterMethanesulfonic acid, 1,1,1-trifluoro-, 1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl ester

DB-432334N1217NS00134146H27511N -((trifluoromethylsulfonyl)oxy)-5-norbornene-2,3-dicarboximideN-trifluoromethanesulfonyloxy-bicyclo-[2,2,1]-hept-5-ene-2,3-dicarboximideN-trifluoromethanesulfonyloxy-bicyclo[2,2,1]-hept-5-ene-2,3-dicarboximide[3,5-bis(oxidanylidene)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl] tris(fluoranyl)methanesulfonate

データベース識別子

CAS: 133710-62-0
PubChem CID: 9901290
DTXSID: DTXSID101346880
Nikkaji: J1.545.308G

物性

構造計算による物性

XLogP: 1.1
極性表面積: 89.1 Å²
水素結合供与体数: 0
水素結合受容体数: 8
回転可能結合数: 2
重原子数: 20
形式電荷: 0
複雑度: 590

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: 88 · 88-89 ºC
沸点: 345.3 · 345.3±52.0 °C(Predicted)
比重(密度): 1.77 · 1.77±0.1 g/cm3(Predicted)
外見: powder
色: White
InChI: InChI=1S/C10H8F3NO5S/c11-10(12,13)20(17,18)19-14-8(15)6-4-1-2-5(3-4)7(6)9(14)16/h1-2,4-7H,3H2
InChIKey: YCMDNBGUNDHOOD-UHFFFAOYSA-N
SMILES: C(F)(F)(F)S(ON1C(=O)C2C(C1=O)C1CC2C=C1)(=O)=O

化学と産業

応用分野

使用5-Norbornene-2,3-dicarboximidyl trifluoromethanesulfonate is used as a photoacid generator in photoresists.

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化合物ノート

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