(ジメトキシホスフィニル)酢酸エチル

Ethyl (dimethoxyphosphinoyl)acetate

HCID 67555

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基本情報

CAS: 311-46-6
標準SMILES: CCOC(=O)CP(=O)(OC)OC
InChIKey: HUNISAHOCCASGM-UHFFFAOYSA-N
分子式: C6H13O5P
平均分子量: 196.14 g/mol
単同位体質量: 196.05006015

名称と識別子

優先名称: Ethyl (dimethoxyphosphinoyl)acetate
IUPAC: ethyl 2-dimethoxyphosphorylacetate
現地名: (ジメトキシホスフィニル)酢酸エチル
英語名: Ethyl dimethylphosphonoacetate
分子式: C6H13O5P
分子量: 196.14

名称と別名

311-46-6Ethyl (dimethoxyphosphinoyl)acetateEINECS 206-222-6DTXSID00185043RefChem:593145DTXCID10107534206-222-6Ethyl dimethylphosphonoacetateethyl 2-(dimethoxyphosphoryl)acetateethyl 2-dimethoxyphosphorylacetateMFCD00015677Acetic acid, 2-(dimethoxyphosphinyl)-, ethyl ester

名称をさらに表示

ジメトキシホスフィニル酢酸エチル(ジメトキシホスフィニル)酢酸エチルジメチルホスホノ酢酸エチルエチル 2-(ジメトキシホスホリル)アセタートEthyl 2-(dimethoxyphosphoryl)DimethylEthylphosphonoacetateEthylDimethylphosphonoacetate>Dimethyl ethyl phosphonylacetateETHYL DIMETHYLPHOSPHONOACETATE 98%ethyl 2-dimethoxyphosphorylethanoateEthyl 2-(dimethoxyphosphinyl)acetate

Ethyl (dimethoxyphosphoryl)acetateAcetic acid, (dimethoxyphosphinyl)-, ethyl esterXGA6D2ZB8QDIMETHYL(ETHOXYCARBONYLMETHYL)PHOSPHONATEethyl dimethyl phosphonoacetateethyl(dimethylphosphono)acetateSCHEMBL639641HUNISAHOCCASGM-UHFFFAOYSA-

データベース識別子

CAS: 311-46-6
PubChem CID: 67555
DTXSID: DTXSID00185043
UNII: XGA6D2ZB8Q
EC Number: 206-222-6
Nikkaji: J193.727H

物性

構造計算による物性

XLogP: -0.2
極性表面積: 61.8 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 6
重原子数: 12
形式電荷: 0
複雑度: 182

物理化学的性質

沸点: 134 °C10 · 134 °C10 mm Hg(lit.)
比重(密度): 1.188 g/mL · 1.188 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.435(lit.)
闪点: 99 °C · 99 °C
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: clear liquid
色: Colorless to Almost colorless
BRN: 1777603 · 1777603
InChI: InChI=1S/C6H13O5P/c1-4-11-6(7)5-12(8,9-2)10-3/h4-5H2,1-3H3
InChIKey: HUNISAHOCCASGM-UHFFFAOYSA-N
SMILES: C(OCC)(=O)CP(OC)(OC)=O

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 2920907090
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 23-24/25
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 1 件

使用Reactant for synthesis of: Non-nucleoside inhibitors of HCV polymerase NS5BNeuropeptide Y1 receptor antagonistsAlkenylcarboxylates from Horner-Wadsworth-Emmons reactionsReactant for: Enantioselective transfer hydrogenation for preparation of the C7-C14 fragment of ulapualide A Intramolecular Michael reactionsOlefination of peptidyl aldehydes with stabilized ylides