N-{[5-(2-chloroacetyl)furan-2-yl]methyl}acetamide

HCID 2393628CAS 115865-57-1

基本情報

標準SMILES: CC(=O)NCc1ccc(C(=O)CCl)o1
InChIKey: CECVWYQULDGTQX-UHFFFAOYSA-N
分子式: C9H10ClNO3
平均分子量: 215.63 g/mol
単同位体質量: 215.03492086

名称と識別子

優先名称: N-{[5-(2-chloroacetyl)furan-2-yl]methyl}acetamide
IUPAC: N-[[5-(2-chloroacetyl)furan-2-yl]methyl]acetamide

名称と別名

115865-57-1N-{[5-(2-chloroacetyl)furan-2-yl]methyl}acetamideN-[[5-(2-chloroacetyl)furan-2-yl]methyl]acetamideN-[5-(2-Chloro-acetyl)-furan-2-ylmethyl]-acetamideN-((5-(2-Chloroacetyl)furan-2-yl)methyl)acetamideAcetamide, N-[[5-(2-chloroacetyl)-2-furanyl]methyl]-MFCD04621540N-([5-(2-CHLOROACETYL)FURAN-2-YL]METHYL)ACETAMIDEAcetamide, N-[[5-(chloroacetyl)-2-furanyl]methyl]-SCHEMBL9082467DTXSID80368458CECVWYQULDGTQX-UHFFFAOYSA-N

名称をさらに表示

QEA86557AKOS0001224155-acetylaminomethyl-2-chloroacetylfuranNCGC00329473-01NCGC00329473-03EN300-06476G56076AB01323255-02

データベース識別子

CAS: 115865-57-1
PubChem CID: 2393628
DTXSID: DTXSID80368458
EC Number: 113-135-6

物性

構造計算による物性

XLogP: 0.8
極性表面積: 59.3 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 14
形式電荷: 0
複雑度: 232

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)