CAS 88738-78-7 Nsc 634137 (HCID 184894)

名称と識別子

優先名称: Nsc 634137
IUPAC: methyl 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetate
現地名: ビス(2,2,2-トリフルオロエチル) (メトキシカルボニルメチル)ホスホナート
英語名: BIS(2,2,2-TRIFLUOROETHYL) (METHOXYCARBONYLMETHYL)PHOSPHONATE
分子式: C7H9F6O5P
分子量: 318.11

名称と別名

88738-78-7Bis(2,2,2-trifluoroethyl) (methoxycarbonylmethyl)phosphonateNSC 634137DTXSID60237279RefChem:854794DTXCID10159770629-171-5Methyl 2-(bis(2,2,2-trifluoroethoxy)phosphoryl)acetatemethyl 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetateMethyl Bis(2,2,2-trifluoroethyl)phosphonoacetateMFCD00009901Methyl P,P-bis(2,2,2-trifluoroethyl)phosphonoacetate

名称をさらに表示

ビス(2,2,2-トリフルオロエチル) (メトキシカルボニルメチル)ホスホナートビス(2,2,2-トリフルオロエトキシ)ホスフィニル酢酸メチル[ビス(2,2,2-トリフルオロエトキシ)ホスフィニル]酢酸メチル(2-メトキシ-2-オキソエチル)ホスホン酸ビス(2,2,2-トリフルオロエチル)(メトキシカルボニル)メチルホスホン酸ビス(2,2,2-トリフルオロエチル)(メトキシカルボニルメチル)ホスホン酸ビス(2,2,2-トリフルオロエチル)ビス(2,2,2-トリフルオロエチル)ホスホノ酢酸メチルビス(2,2,2-トリフルオロエチル)(メトキシカルボニルメチル)ホスホン酸P,P-ビス(2,2,2-トリフルオロエチル)ホスホノ酢酸メチルメチル 2-[ビス(2,2,2-トリフルオロエトキシ)ホスホリル]アセタート2-[ビス(2,2,2-トリフルオロエトキシ)ホスフィニル]酢酸メチルＯ,Ｏ′-ビス(2,2,2-トリフルオロエチル)ホスホノ酢酸メチルBIS(2,2,2-TRIFLUOROETHYL)PHOSPHONOACETIC ACID METHYL ESTERBIS(2,2,2-TRIFLUOROETHYL) (METHOXYCARBONYLMETHYL)METHYL [BIS(2,2,2-TRIFLUOROETHOXY)PHOSPHINYL]ACETATEMETHYL O,O'-BIS(2,2,2-TRIFLUOROETHYL)PHOSPHONOACETATEMethyl 2-(bis(2,2,2-trifluoroethoxy)-phosphoryl)acetateMethyl P,P-bis(2,2,2-trifluoroethyl)phosphonoacetate 95%Methyl O,O'-bis(2,2,2-trifluoroethyl)phosphonoacetate,90%

Bis(2,2,2-trifluoroethyl)(methoxycarbonylmethyl)phosphonateAcetic acid, [bis(2,2,2-trifluoroethoxy)phosphinyl]-, methyl esterMethyl [bis(2,2,2-trifluoroethoxy)phosphoryl]acetateNSC634137NSC-634137Bis(2,2,2-trifluoroethyl)(methoxycarbonylmethyl) phosphonateMethyl (bis(2,2,2-trifluoroethoxy)phosphinyl)acetateMethyl (bis(2,2,2-trifluoroethoxy)phosphoryl)acetate

データベース識別子

CAS: 88738-78-7
PubChem CID: 184894
DTXSID: DTXSID60237279
UNII: NL57H7JP5L
EC Number: 629-171-5
Nikkaji: J236.294E

物性

構造計算による物性

XLogP: 1.6
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: 11
回転可能結合数: 7
重原子数: 19
形式電荷: 0
複雑度: 329

物理化学的性質

沸点: 246.6 · 246.6±40.0 °C(Predicted)
比重(密度): 1.504 g/mL · 1.504 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.370(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Inert atmosphere,Room Temperature
外見: 液体
比重: 1.5 · 1.50
色: クリアオレンジからダークオレンジブラウン
BRN: 3594044 · 3594044
InChI: InChI=1S/C7H9F6O5P/c1-16-5(14)2-19(15,17-3-6(8,9)10)18-4-7(11,12)13/h2-4H2,1H3
InChIKey: PVSJXEDBEXYLML-UHFFFAOYSA-N
SMILES: C(OC)(=O)CP(OCC(F)(F)F)(OCC(F)(F)F)=O
CAS データベース: 88738 · 88738-78-7(CAS DataBase Reference)

化学的性質

化学的特性clear orange to dark orange-brown liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): 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 43 reports by companies from 6 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 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

安全データ

F: 10
wgk: 3
hs_code: 29319090
risk_code: 36/37/38
消防法: 危-4-3-III
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
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 · 1 件

使用MethylP,P-bis(2,2,2-trifluoroethyl)phosphonoacetate can be used:In one of the key synthetic steps for the preparation oftrans-hydrindanes and (R)-(+)-umbelactone.To prepare a cis-olefinic ester derivative by Still–Gennari olefination of an aldehyde derivative using 18-crown ether and potassium bis(trimethylsilyl)amide (KHMDS).In the synthesis of ()-(6S,2′S)-epicryptocaryalactone.