CAS 473659-21-1 diethyl ((1-(triphenylmethyl)-1H-imidazol-4-yl)methyl)phosphonate (HCID 2763175)

基本情報

CAS: 473659-21-1
標準SMILES: CCOP(=O)(Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)OCC
InChIKey: FNSMDCRPGWSMDB-UHFFFAOYSA-N
分子式: C27H29N2O3P
平均分子量: 460.5 g/mol
単同位体質量: 460.19157942

名称と識別子

優先名称: diethyl ((1-(triphenylmethyl)-1H-imidazol-4-yl)methyl)phosphonate
IUPAC: 4-(diethoxyphosphorylmethyl)-1-tritylimidazole
英語名: Diethyl (1-trityl-1H-imidazol-4-yl)methylphosphonate
分子式: C27H29N2O3P
分子量: 460.5

名称と別名

Diethyl {[1-(triphenylmethyl)-1H-imidazol-4-yl]methyl}phosphonatediethyl ((1-(triphenylmethyl)-1H-imidazol-4-yl)methyl)phosphonateRefChem:586971970-058-8473659-21-1Diethyl (1-trityl-1H-imidazol-4-yl)methylphosphonate4-(diethoxyphosphorylmethyl)-1-tritylimidazoleMFCD06660114Diethyl [(1-Trityl-4-imidazolyl)methyl]phosphonateDiethyl ((1-trityl-1H-imidazol-4-yl)methyl)phosphonateDiethyl [(1-trityl-1H-imidazol-4-yl)methyl]phosphonateC27H29N2O3P

名称をさらに表示

Phosphonic acid, P-[[1-(triphenylmethyl)-1H-imidazol-4-yl]methyl]-, diethyl ester4-[(Diethoxyphosphoryl)methyl]-1-trityl-1H-imidazole, 4-[(Diethylphosphono)methyl]-1-trityl-1H-imidazole

SCHEMBL222974DTXSID50376787FNSMDCRPGWSMDB-UHFFFAOYSA-NYTA65921AKOS015839052PS-10974SY318868CS-0308664

データベース識別子

CAS: 473659-21-1

物性

構造計算による物性

XLogP: 4.6
極性表面積: 53.4 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 10
重原子数: 33
形式電荷: 0
複雑度: 571

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.