Methyl 2-trifluoromethanesulfonyloxy-1-naphthoate

HCID 11034997

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 200573-11-1
標準SMILES: COC(=O)c1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12
InChIKey: BDXDWDCWSCPFEW-UHFFFAOYSA-N
分子式: C13H9F3O5S
平均分子量: 334.27 g/mol
単同位体質量: 334.01227905

名称と識別子

優先名称: Methyl 2-trifluoromethanesulfonyloxy-1-naphthoate
IUPAC: methyl 2-(trifluoromethylsulfonyloxy)naphthalene-1-carboxylate
英語名: Methyl 2-trifluoromethanesulfonyloxy-1-naphthoate
分子式: C13H9F3O5S
分子量: 334.27

名称と別名

200573-11-1METHYL 2-TRIFLUOROMETHANESULFONYLOXY-1-NAPHTHOATEDTXSID70452799RefChem:354473DTXCID00403618Methyl 2-(((trifluoromethyl)sulfonyl)oxy)-1-naphthoateMETHYL 2-TRIFLUOROMETHYLSULFONYLOXY-1-NAPHTHOATEMethyl 2-(trifluoromethylsulfonyloxy)naphthalene-1-carboxylatemethyl 2-(trifluoromethanesulfonyloxy)naphthalene-1-carboxylate1-Naphthalenecarboxylic acid, 2-[[(trifluoromethyl)sulfonyl]oxy]-, methyl esterMFCD04039773Methyl 2-[[(Trifluoromethyl)sulfonyl]oxy]-1-naphthoate

名称をさらに表示

Methyl 2-trifluoromethylsulfonyloxy-1-naphthoate, 98%

SCHEMBL7513949AKOS027320231AS-73694SY492152CS-0361703D97839F753084methyl 2-(trifluoromethylsulfonyloxy)-1-naphthoate

データベース識別子

CAS: 200573-11-1
PubChem CID: 11034997
DTXSID: DTXSID70452799
EC Number: 681-494-0
Nikkaji: J2.418.786A

物性

構造計算による物性

XLogP: 3.8
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: 22
形式電荷: 0
複雑度: 511

物理化学的性質

融点: 41 · 41-43°C
沸点: 421.9 · 421.9±45.0 °C(Predicted)
比重(密度): 1.499 · 1.499±0.06 g/cm3(Predicted)

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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.