Boc-methoxyphenyldiphenylsulfonium triflate
基本情報
- CAS
180801-55-2- 標準SMILES
CC(C)(C)OC(=O)COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=S(=O)([O-])C(F)(F)F- InChIKey
KMJCYKNSIKZQFX-UHFFFAOYSA-M- 分子式
- C25H25F3O6S2
- 平均分子量
- 542.6 g/mol
- 単同位体質量
- 542.10446535
名称と識別子
- 優先名称
- Boc-methoxyphenyldiphenylsulfonium triflate
- IUPAC
- [4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;trifluoromethanesulfonate
- 英語名
- (tert-Butoxycarbonylmethoxyphenyl)diphenylsulfonium triflate
- 分子式
- C24H25O3S.CF3O3S
- 分子量
- 542.59
名称と別名
Boc-methoxyphenyldiphenylsulfonium triflateRefChem:569788622-399-6180801-55-2(TERT-BUTOXYCARBONYLMETHOXYPHENYL)DIPHENYLSULFONIUM TRIFLATE(4-(2-(tert-Butoxy)-2-oxoethoxy)phenyl)diphenylsulfonium trifluoromethanesulfonateMFCD02683567[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;trifluoromethanesulfonateSCHEMBL3197613KMJCYKNSIKZQFX-UHFFFAOYSA-MDTXSID701347167tert-butyl 2-[4-(diphenylsulfonium)phenoxy]acetate,triflate salt
名称をさらに表示
(TERT-BUTOXYLCARBONYLMETHOXYPHENYL) DIPH4-Boc-methoxyphenyl diphenyl sulfonium triflateTERT-BUTYL (4-(DIPHENYL)SULFONIUM)PHENOXYACETATE TRIFLATET-BUTYL 2-[4-(DIPHENYLSULFONIUM)PHENOXY]ACETATE, TRIFLATE SALTT-BUTYL 2-[4-(DIPHENYLSULPHONIUM)PHENOXY] ACETATE, TRIFLATE SALT(TERT-BUTOXYCARBONYLMETHOXYPHENYL)DIPHENYLSULFONIUM TRIFLUOROMETHANESULFONATE{4-[2-(1,1-Dimethylethoxy)-2-oxoethoxy]-phenyl}-diphenylsulfoniumtrifluoromethanesulfonate
Sulfonium, [4-[2-(1,1-dimethylethoxy)-2-oxoethoxy]phenyl]diphenyl-, 1,1,1-trifluoromethanesulfonate (1:1)CS-0336750(4-(2-(tert-Butoxy)-2-oxoethoxy)phenyl)diphenylsulfoniumtrifluoromethanesulfonate[4-(2-tert-butoxy-2-oxo-ethoxy)phenyl]-diphenyl-sulfonium;trifluoromethanesulfonate(4-{2-[(2-Methyl-2-propanyl)oxy]-2-oxoethoxy}phenyl)(diphenyl)sulfonium trifluoromethanesulfonateTERT-BUTYL (4-(DIPHENYL)SULFONIUM)PHENOXYACETATE TRIFLATE;(TERT-BUTOXYCARBONYLMETHOXYPHENYL)DIPHENYLSULFONIUM TRIFLATE;(TERT-BUTOXYCARBONYLMETHOXYPHENYL)DIPHENYLSULFONIUM TRIFLUOROMETHANESULFONATE;T-BUTYL 2-[4-(DIPHENYLSULPHONIUM)PHENOXY] ACETATE, TRIFLAT
データベース識別子
- CAS
180801-55-2- PubChem CID
- 16213834
- DTXSID
DTXSID701347167- EC Number
- 622-399-6
物性
構造計算による物性
- 極性表面積
- 102 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 9
- 回転可能結合数
- 8
- 重原子数
- 36
- 形式電荷
- 0
- 複雑度
- 593
物理化学的性質
- 融点
- 104 · 104-108 °C(lit.)
- InChI
- 1S/C24H25O3S.CHF3O3S/c1-24(2,3)27-23(25)18-26-19-14-16-22(17-15-19)28(20-10-6-4-7-11-20)21-12-8-5-9-13-21;2-1(3,4)8(5,6)7/h4-17H,18H2,1-3H3;(H,5,6,7)/q+1;/p-1
- InChIKey
- KMJCYKNSIKZQFX-UHFFFAOYSA-M
- SMILES
- [O-]S(=O)(=O)C(F)(F)F.CC(C)(C)OC(=O)COc1ccc(cc1)[S+](c2ccccc2)c3ccccc3
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
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
- 2918290090
- risk_code
- 36/37/38
- hazard_code
- Xi,C
- 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
使用Cationic photoinitiator. Photoacid generator.
関連反応
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