Tetraethyl methylenediphosphonate (HCID 15455)

名称と識別子

優先名称: Tetraethyl methylenediphosphonate
IUPAC: 1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane
現地名: [α,β-メチレン]二りん酸テトラエチル
英語名: Tetraethyl methylenediphosphonate
分子式: C9H22O6P2
分子量: 288.21

名称と別名

Tetraethyl methylenediphosphonate1660-94-2Tetraethyl methylenebisphosphonateEINECS 216-764-5BRN 1813241Phosphonic acid, P,P'-methylenebis-, P,P,P',P'-tetraethyl esterMethylenediphosphonic acid, tetraethyl ester4-01-00-03071 (Beilstein Handbook Reference)RefChem:188555Phosphonic acid, methylenedi, tetraethyl esterPhosphonic acid, methylenebis, tetraethyl esterPhosphonic acid, P,P'methylenebis, P,P,P',P'tetraethyl ester

名称をさらに表示

メチレンビス(ホスホン酸ジエチル)メチレンビスホスホン酸テトラエチルメチレンジ(ホスホン酸ジエチル)[α,β-メチレン]二りん酸テトラエチルテトラエチルメチレンジホスホナートメチレンジホスホン酸テトラエチルメチレンジホスホン酸テトラエチル, 98+%1-5kgNSC 133889AURORA KA-1506enediphosphonateTenofovir Impurity 183BIS(DIETHOXYPHOSPHINYL)METHANEtetraethyl methylenediphosphateTetraethylemethylenediphosphonate

216-764-5STJWVOQLJPNAQL-UHFFFAOYSA-Ntetraethyl methylenebis(phosphonate)1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethaneTetraethyl methanediphosphonateMethylenebis(diethylphosphonate)Phosphonic acid, methylenebis-, tetraethyl esterTetraethyl diphosphonomethane

データベース識別子

CAS: 1660-94-2
PubChem CID: 15455
DTXSID: DTXSID60937146
UNII: WT3D5Q9EPC
EC Number: 216-764-5
Nikkaji: J40.747J

物性

構造計算による物性

XLogP: 0.3
極性表面積: 71.1 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: 10
重原子数: 17
形式電荷: 0
複雑度: 245

実験および物理化学的性質

Chemical ClassesOther Classes -> Organophosphates, Other

SpringerMaterials PropertiesViscosity

Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]

物理化学的性質

沸点: 171 · 171-174 °C11 mm Hg(lit.)
比重(密度): 1.16 g/mL · 1.16 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.442(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: Chloroform (Sparingly), Methanol (Slightly)
外見: 液体
比重: 1.16 · 1.160
色: 澄んだ黄色から黄褐色
水溶解度: 水とわずかに混和する。
BRN: 1813241 · 1813241
InChI: InChI=1S/C9H22O6P2/c1-5-12-16(10,13-6-2)9-17(11,14-7-3)15-8-4/h5-9H2,1-4H3
InChIKey: STJWVOQLJPNAQL-UHFFFAOYSA-N
SMILES: C(P(=O)(OCC)OCC)P(=O)(OCC)OCC
CAS データベース: 1660 · 1660-94-2(CAS DataBase Reference)
EPAの化学物質情報: Phosphonic acid, methylenebis-, tetraethyl ester (1660-94-2)

化学的性質

化学的特性clear yellow to yellow-brown liquid

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 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazards SummaryIntravenous LD50 (mouse) = 180 mg/kg; [RTECS] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See Dimethyl methylphosphonate, Dibutyl butylphosphonate, and Diethyl ethylphosphonate.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: SZ9150000
毒性: mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03139,
hs_code: 29319090
risk_code: 36/37/38
消防法: 危-4-3-III
hazard_code: Xi,C
hazard_note: Corrosive
safety_code: 26-36
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

General Manufacturing InformationPhosphonic acid, P,P'-methylenebis-, P,P,P',P'-tetraethyl ester: INACTIVE

応用分野 · 2 件

用途有機合成原料。

使用Tetraethyl methylidenebisphosphonate, can be used in the synthesis of tetrazoloquinoline-based mono- and bisphosphonate esters as potent anti-inflammatory agents. It is also an intermediate for the synthesis of new bisphosphonate and bisphosphonic acid derivatives with anticancer and antischistosomal activity.