CAS 1206195-81-4 Diethyl (3,4,5-trifluorophenyl)phosphonate (HCID 86653410)

基本情報

CAS: 1206195-81-4
標準SMILES: CCOP(=O)(OCC)c1cc(F)c(F)c(F)c1
InChIKey: UARXKPFJIFTXKC-UHFFFAOYSA-N
分子式: C10H12F3O3P
平均分子量: 268.17 g/mol

名称と識別子

優先名称: Diethyl (3,4,5-trifluorophenyl)phosphonate
IUPAC: 5-diethoxyphosphoryl-1,2,3-trifluorobenzene

名称と別名

Diethyl (3,4,5-Trifluorophenyl)phosphonate1206195-81-4RefChem:587014975-691-3SCHEMBL578222UARXKPFJIFTXKC-UHFFFAOYSA-Ndiethyl 3,4,5-trifluorophenylphosphonateSY311502

データベース識別子

CAS: 1206195-81-4
PubChem CID: 86653410
EC Number: 975-691-3

物性

構造計算による物性

XLogP: 2.1
極性表面積: 35.5 Å²
水素結合供与体数: 0
水素結合受容体数: 6
回転可能結合数: 5
重原子数: 17
形式電荷: 0
複雑度: 268

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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.