Nsc 634137 (HCID 184894)

Namen und Bezeichner

Bevorzugter Name: Nsc 634137
IUPAC: methyl 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetate
Englischer Name: BIS(2,2,2-TRIFLUOROETHYL) (METHOXYCARBONYLMETHYL)PHOSPHONATE
Summenformel: C7H9F6O5P
Molmasse: 318.11

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 61,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 11
Frei drehbare Bindungen: 7
Schwere Atome: 19
Formalladung: 0
Komplexität: 329

Physikochemische Eigenschaften

Siedepunkt: 246.6 · 246.6±40.0 °C(Predicted)
Dichte: 1.504 g/mL · 1.504 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.370(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: Liquid
Wichte: 1.5 · 1.50
Farbe: Clear orange to dark orange-brown
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 Datenbank: 88738 · 88738-78-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

Sicherheitsdaten

F: 10
wgk: 3
hs_code: 29319090
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenMethylP,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.