メチレンジホスホン酸テトラメチル

Tetramethyl methylenediphosphonate

HCID 519206

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基本情報

CAS: 16001-93-7
標準SMILES: COP(=O)(CP(=O)(OC)OC)OC
InChIKey: XAVFZUKFLWOSOS-UHFFFAOYSA-N
分子式: C5H14O6P2
平均分子量: 232.11 g/mol
単同位体質量: 232.02656216

名称と識別子

優先名称: Tetramethyl methylenediphosphonate
IUPAC: bis(dimethoxyphosphoryl)methane
現地名: メチレンジホスホン酸テトラメチル
英語名: TETRAMETHYL METHYLENEDIPHOSPHONATE
分子式: C5H14O6P2
分子量: 232.11

名称と別名

16001-93-7Tetramethyl methylenediphosphonateDTXSID30333919RefChem:1099716DTXCID70285009bis(dimethoxyphosphoryl)methaneTetramethyl methylenebis(phosphonate)Phosphonic acid, P,P'-methylenebis-, P,P,P',P'-tetramethyl esterMFCD00014884SCHEMBL328930tetramethyl-methylenediphosphonatedimethyl [(dimethoxyphosphoryl)methyl]phosphonate

名称をさらに表示

メチレンジホスホン酸テトラメチルTetramethyl methylenediphosphonate, 98+%bis(dimethoxyphosphoryl)methane - [B83314]Tetramethyl methylenediphosphonatedisc 6/01(Dimethoxy-phosphorylmethyl)-phosphonicaciddimethylester1-(2,3-dideoxy-3-fluoro-β-D-threo-pentofuranosyl)thymine

(dimethoxy-phosphorylmethyl)-phosphonic acid dimethyl esterCS-0316451D97325Phosphonic acid, methylenebis-, tetramethyl esterMethylenediphosphonic acid tetramethyl esterSCHEMBL7525659tetramethyl methanebisphosphonatetetramethyl methylenebisphosphonate

データベース識別子

CAS: 16001-93-7
PubChem CID: 519206
DTXSID: DTXSID30333919
EC Number: 678-767-1
Nikkaji: J381.065H

物性

構造計算による物性

XLogP: -1.2
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: 6
重原子数: 13
形式電荷: 0
複雑度: 199

物理化学的性質

沸点: 152 · 152-154°C 2,5mm
比重(密度): 1 · 1+-.0.06 g/cm3(Predicted)
屈折率: 1.455 · 1.4550
闪点: 152 · 152-154°C/2.5mm
貯蔵温度: 2 · 2-8°C
溶解性: クロロホルム（少量）、メタノール（少量）
外見: 油
色: 無色
水溶解度: 水と混和します。
BRN: 1874756 · 1874756
安定性: 湿気に敏感
InChI: InChI=1S/C5H14O6P2/c1-8-12(6,9-2)5-13(7,10-3)11-4/h5H2,1-4H3
InChIKey: XAVFZUKFLWOSOS-UHFFFAOYSA-N
SMILES: C(P(=O)(OC)OC)P(=O)(OC)OC
CAS データベース: 16001 · 16001-93-7

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.