CAS 138687-69-1 Pentafluorophenyl diphenylphosphinate (HCID 4652311)

基本情報

CAS: 138687-69-1
標準SMILES: O=P(Oc1c(F)c(F)c(F)c(F)c1F)(c1ccccc1)c1ccccc1
InChIKey: OOWSDKUFKGVADH-UHFFFAOYSA-N
分子式: C18H10F5O2P
平均分子量: 384.2 g/mol
単同位体質量: 384.03385729

名称と識別子

優先名称: Pentafluorophenyl diphenylphosphinate
IUPAC: 1-diphenylphosphoryloxy-2,3,4,5,6-pentafluorobenzene
現地名: ペンタフルオロフェニルジフェニルホスフィナート
英語名: PENTAFLUOROPHENYL DIPHENYLPHOSPHINATE
分子式: C18H10F5O2P
分子量: 384.24

名称と別名

Pentafluorophenyl diphenylphosphinate138687-69-1DTXSID70405265RefChem:368001DTXCID40356119873-948-3perfluorophenyl diphenylphosphinate1-diphenylphosphoryloxy-2,3,4,5,6-pentafluorobenzeneMFCD00192380FDPPPhosphinic acid, P,P-diphenyl-, 2,3,4,5,6-pentafluorophenyl ester1-diphenylphosphoryloxy-2,3,4,5,6-pentafluoro-benzene

名称をさらに表示

ペンタフルオロフェニルジフェニルホスフィナートPentafluorophenyl diphenyl phosphateDiphenyl phosphate of pentfluorophenylperfluorophenyl diphenylphosphinate(FDPP)Diphenylphosphinic acid pentafluorophenyl esterPENTAFLUOROPHENYL DIPHENYLPHOSPHINATE Diphenylphosphinic acid pentafluorophenyl ester

Phosphinic acid, diphenyl-, pentafluorophenyl esterC18H10F5O2PSCHEMBL863602perfluorophenyldiphenylphosphinateOOWSDKUFKGVADH-UHFFFAOYSA-NAKOS015900973CS-W009742AS-10634

データベース識別子

CAS: 138687-69-1

物性

構造計算による物性

XLogP: 4.9
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 7
回転可能結合数: 4
重原子数: 26
形式電荷: 0
複雑度: 472

物理化学的性質

融点: 47 · 47-50 °C (lit.)
沸点: 413.1 · 413.1±55.0 °C(Predicted)
比重(密度): 1.45 · 1.45
貯蔵温度: Sealed in dry,Room Temperature
外見: solid
InChI: InChI=1S/C18H10F5O2P/c19-13-14(20)16(22)18(17(23)15(13)21)25-26(24,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKey: OOWSDKUFKGVADH-UHFFFAOYSA-N
SMILES: P(C1=CC=CC=C1)(C1=CC=CC=C1)(OC1=C(F)C(F)=C(F)C(F)=C1F)=O

化学的性質

化学的特性White to yellow solid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

wgk: 3
ridadr: UN2811
hs_code: 29319090
safety_code: 24/25
hazard_class: 6.1
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

使用Pentafluorophenyl Diphenylphosphinate is a reagent used as carboxyl activating group and a coupling agent in variety of amide bond formations.

一般的な説明Pentafluorophenyl diphenylphosphinate (FDPP) is a reagent, used as a coupling agent in the amide bond forming reactions without racemization. It can also be employed in the synthesis of dipeptides with high yields and good optical purity. FDPP can be prepared from diphenylphosphinic chloride and pentafluorophenol in the presence of imidazole.