4-(トリフルオロメトキシ)ベンズアミドオキシム

4-(Trifluoromethoxy)benzamidoxime

HCID 2733309CAS 1570043-14-9

部分構造検索類似構造を探す

基本情報

標準SMILES: NC(=NO)c1ccc(OC(F)(F)F)cc1
InChIKey: COHKFOZYLCDVRK-UHFFFAOYSA-N
分子式: C8H7F3N2O2
平均分子量: 220.15 g/mol
単同位体質量: 220.04596212

名称と識別子

優先名称: 4-(Trifluoromethoxy)benzamidoxime
IUPAC: N'-hydroxy-4-(trifluoromethoxy)benzenecarboximidamide
英語名: IACS-10759 intermediate
分子式: C8H7F3N2O2
分子量: 220.15

名称と別名

4-(Trifluoromethoxy)benzamidoximeRefChem:517065624-227-556935-71-8N'-hydroxy-4-(trifluoromethoxy)benzenecarboximidamideN-hydroxy-4-(trifluoromethoxy)benzimidamideN-hydroxy-4-(trifluoromethoxy)benzene-1-carboximidamide1219626-37-5MFCD00085175n-hydroxy-4-trifluoromethoxy-benzamidineBenzenecarboximidamide, N-hydroxy-4-(trifluoromethoxy)-(E)-N'-hydroxy-4-(trifluoromethoxy)benzimidamide

名称をさらに表示

IACS-10759 intermediateBenzenecarboximidamide, N'-hydroxy-4-(trifluoromethoxy)-, [C(E)]-(E)-N'-hydroxy-4-(trifluoromethoxy)benzimidamide/IACS-10759 intermediate

Maybridge3_0070884-trifluoromethoxybenzamidoximeSCHEMBL2323020SCHEMBL2323023DTXSID40972378XH1108DB-026148(Z)-N-Hydroxy-4-(trifluoromethoxy)benzimidamide

データベース識別子

CAS: 1570043-14-9、56935-71-8
PubChem CID: 2733309
DTXSID: DTXSID40972378
EC Number: 624-227-5

物性

構造計算による物性

XLogP: 2.2
極性表面積: 67.8 Å²
水素結合供与体数: 2
水素結合受容体数: 6
回転可能結合数: 2
重原子数: 15
形式電荷: 0
複雑度: 235

物理化学的性質

沸点: 245 · 245.0±50.0 °C(Predicted)
比重(密度): 1.44 · 1.44±0.1 g/cm3(Predicted)
酸解離定数(Pka): 14.06 · 14.06±0.50(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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.