CAS 2356-16-3 Triethyl 2-fluoro-2-phosphonoacetate (HCID 2734865)

名称と識別子

優先名称: Triethyl 2-fluoro-2-phosphonoacetate
IUPAC: ethyl 2-diethoxyphosphoryl-2-fluoroacetate
現地名: 2-フルオロ-2-ホスホノ酢酸トリエチル
英語名: Triethyl 2-fluoro-2-phosphonoacetate
分子式: C8H16FO5P
分子量: 242.18

名称と別名

Triethyl 2-fluoro-2-phosphonoacetateRefChem:899470627-648-22356-16-3ethyl 2-(diethoxyphosphoryl)-2-fluoroacetate2-Fluoro-2-phosphonoacetic Acid Triethyl Esterethyl 2-diethoxyphosphoryl-2-fluoroacetateMFCD00134400ethyl (diethoxyphosphoryl)(fluoro)acetateTriethyl phosphonofluoroacetateAcetic acid, (diethoxyphosphinyl)fluoro-, ethyl esterethyl diethylphosphonofluoroacetate

名称をさらに表示

2-フルオロ-2-ホスホノ酢酸トリエチル2-エトキシ-1-フルオロ-2-オキソエチルホスホン酸ジエチル2-フルオロ-2-(ジエトキシホスフィニル)酢酸エチル2-(ジエトキシホスフィニル)-2-フルオロ酢酸エチル(ジエトキシホスフィニル)フルオロ酢酸エチルフルオロ(ジエトキシホスフィニル)酢酸エチルジエトキシホスフィニルフルオロ酢酸エチル2-フルオロ-2-ホスホノ酢酸トリエチル2-フルオロ-2-ホスホノ酢酸トリエチルエステルczjuoro-2-phosphonoacetateTriethyl-2-Fluoro-2-PhosphonotriethylphosphonofluoroacetateTriethyl2-Fluoro-2-phosphoacetateRIETHYL2-FLUORO-2-PHOSPHONOACETATETriethyl-2-fluoro-phosphonoacetateTriethyl α-fluoro(phosphono)acetate

triethyl-2-fluoro-2-phosphonoacetateC8H16FO5PTriethyl fluorophosphonoacetateethyl 2-(diethoxycarbonyl)-2-fluoroacetatediethyl [(ethoxycarbonyl)fluoromethyl]phosphonateTriethyl2-fluoro-2-phosphonoacetate(Diethoxyphosphinyl)fluoroacetic Acid Ethyl EsterSCHEMBL365852

データベース識別子

CAS: 2356-16-3
PubChem CID: 2734865
DTXSID: DTXSID20946330
EC Number: 627-648-2
Nikkaji: J247.275I

物性

構造計算による物性

XLogP: 1
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: 6
回転可能結合数: 8
重原子数: 15
形式電荷: 0
複雑度: 235

物理化学的性質

沸点: 75 °C0.01 · 75 °C0.01 mm Hg(lit.)
比重(密度): 1.194 g/mL · 1.194 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.425(lit.)
闪点: 165 °F · 165 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: clear liquid
色: Colorless to Almost colorless
比重: 1.194 · 1.194
BRN: 1912161 · 1912161
InChI: InChI=1S/C8H16FO5P/c1-4-12-8(10)7(9)15(11,13-5-2)14-6-3/h7H,4-6H2,1-3H3
InChIKey: FVPISMANESAJQZ-UHFFFAOYSA-N
SMILES: C(OCC)(=O)C(P(OCC)(OCC)=O)F
CAS データベース: 2356 · 2356-16-3(CAS DataBase Reference)

化学的性質

化学的特性clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (96.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (96.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (94.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 57 reports by companies from 11 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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (96.5%)；Eye Irrit. 2 (96.5%)；STOT SE 3 (94.7%)

安全データ

F: 10-21
wgk: 3
hs_code: 29319090
risk_code: 36/37/38
消防法: 危-4-3-III
hazard_code: Xi,F
hazard_note: Irritant
safety_code: 26-36-37/39
hazard_class: IRRITANT, FLAMMABLE
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 2 件

用途有機合成原料。

使用Reactant for: Diels-Alder reactionsBiosynthesis of terpeneStereoselective synthesis of unsaturated esters, fluorides and nitriles from the reactions of aldehydes and ketones using Wadsworth-Emmons phosphonatesSynthesis of quinolonesHorner-Wadsworth-Emmons asymmetric hydrationAddition reactions and the subsequent application to click chemistryAsymmetric intermolecular Stetter reactions