2-(((Trifluoromethyl)sulfonyl)oxy)acetic acid methyl ester

HCID 11229773

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基本情報

CAS: 88016-31-3
標準SMILES: COC(=O)COS(=O)(=O)C(F)(F)F
InChIKey: PPYPHCLFWPCGAU-UHFFFAOYSA-N
分子式: C4H5F3O5S
平均分子量: 222.14 g/mol
単同位体質量: 221.98097892

名称と識別子

優先名称: 2-(((Trifluoromethyl)sulfonyl)oxy)acetic acid methyl ester
IUPAC: methyl 2-(trifluoromethylsulfonyloxy)acetate
英語名: Acetic acid, 2-[[(trifluoroMethyl)sulfonyl]oxy]-, Methyl ester
分子式: C4H5F3O5S
分子量: 222.14

名称と別名

2-[[(Trifluoromethyl)sulfonyl]oxy]acetic acid methyl ester2-(((Trifluoromethyl)sulfonyl)oxy)acetic acid methyl esterRefChem:447203863-449-988016-31-3Methyl 2-(((trifluoromethyl)sulfonyl)oxy)acetateMFCD23134700Methyl 2-(trifluoromethylsulfonyloxy)acetatemethyl 2-(trifluoromethanesulfonyloxy)acetateMethyl trifluoromethylsulfonyloxyacetateSY277070Acetic acid, 2-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester

名称をさらに表示

D70818Methyl2-(((trifluoromethyl)sulfonyl)oxy)acetateMethyl 2-[[(Trifluoromethyl)sulfonyl]oxy]acetateAcetic acid, [[(trifluoromethyl)sulfonyl]oxy]-, methyl esterTfO-CH2COOMeC4H5F3O5SSCHEMBL1509202Acetic acid, [[(trifluoromethyl

データベース識別子

CAS: 88016-31-3
PubChem CID: 11229773
DTXSID: DTXSID10459449
EC Number: 863-449-9
Nikkaji: J3.054.932E

物性

構造計算による物性

XLogP: 0.8
極性表面積: 78.1 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: 4
重原子数: 13
形式電荷: 0
複雑度: 273

物理化学的性質

沸点: 191.2 · 191.2±40.0 °C(Predicted)
比重(密度): 1.566 · 1.566±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · Inert atmosphere,Store in freezer, under -20°C

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.