(2-(Trifluoromethyl)oxiran-2-yl)methyl 4-methylbenzenesulfonate

HCID 24809749

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 960249-70-1
標準SMILES: Cc1ccc(S(=O)(=O)OCC2(C(F)(F)F)CO2)cc1
InChIKey: JNMFJRRMXRUZKR-UHFFFAOYSA-N
分子式: C11H11F3O4S
平均分子量: 296.26 g/mol

名称と識別子

優先名称: (2-(Trifluoromethyl)oxiran-2-yl)methyl 4-methylbenzenesulfonate
IUPAC: [2-(trifluoromethyl)oxiran-2-yl]methyl 4-methylbenzenesulfonate
英語名: no data
分子式: C11H11F3O4S
分子量: 296.26

名称と別名

960249-70-1[2-(trifluoromethyl)oxiran-2-yl]methyl 4-methylbenzenesulfonate(2-(Trifluoromethyl)oxiran-2-yl)methyl 4-methylbenzenesulfonateRefChem:395210835-101-6MFCD32012214SCHEMBL476815[2-(trifluoromethyl)oxiran-2-yl]methyl 4-methylbenzene-1-sulfonateAKOS034834149MS-20828[2-(Trifluoromethyl)-2-oxiranyl]methyl 4-methylbenzenesulfonate[2-(Trifluoromethyl)oxiran-2-yl]methyl4-methylbenzenesulfonate

名称をさらに表示

no data2-(Trifluoromethyl)oxiran-2-yl]methyl 4-methylbenzenesulfonate2-Oxiranemethanol, 2-(trifluoromethyl)-, 2-(4-methylbenzenesulfonate)

データベース識別子

CAS: 960249-70-1
PubChem CID: 24809749
EC Number: 835-101-6
Nikkaji: J2.619.779A

物性

構造計算による物性

XLogP: 2.2
極性表面積: 64.3 Å²
水素結合供与体数: 0
水素結合受容体数: 7
回転可能結合数: 4
重原子数: 19
形式電荷: 0
複雑度: 420

物理化学的性質

沸点: 372.1 · 372.1±37.0 °C(Predicted)
比重(密度): 1.44 · 1.440±0.06 g/cm3(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, 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.