Dibenzylhydrogenphosphat

Dibenzyl phosphate

HCID 74189

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Grundinformationen

CAS: 1623-08-1
Standard-SMILES: O=P(O)(OCc1ccccc1)OCc1ccccc1
InChIKey: HDFFVHSMHLDSLO-UHFFFAOYSA-N
Summenformel: C14H15O4P
Durchschnittliche Molmasse: 278,24 g/mol
Monoisotopische Masse: 278,07079559

Überblick

Dibenzyl phosphate is a dialkyl phosphate.

Namen und Bezeichner

Bevorzugter Name: Dibenzyl phosphate
IUPAC: dibenzyl hydrogen phosphate
Lokaler Name: Dibenzylhydrogenphosphat
Englischer Name: Dibenzyl phosphate
Summenformel: C14H15O4P
Molmasse: 278.24

Namen und Synonyme

Dibenzyl phosphateDibenzyl hydrogen phosphate1623-08-1DTXSID1033402DTXCID9013402EINECS 216-602-3RefChem:586443Phosphoric Acid Dibenzyl EsterDibenzylphosphoric acidPhosphoric acid, bis(phenylmethyl) esterMFCD00004775C14H15O4P

Weitere Namen anzeigen

SKL257DibenzylPhosphate>Dibenzyl phosphate,98%Dibenzyl phosphate 99%Dibenzyl phosphate, 97%Phosphoric acid dibenzyl

UNII-Y65R35LZ0SPhosphoric acid, dibenzyl esterFosaprepitant Impurity Nbis(benzyloxy)phosphinic acidSCHEMBL51316Y65R35LZ0STox21_201050CS-W008704

Datenbank-Bezeichner

CAS: 1623-08-1
PubChem CID: 74189
DTXSID: DTXSID1033402
ChEMBL: CHEMBL1576902
ChEBI: CHEBI:166472
UNII: Y65R35LZ0S
EC Number: 216-602-3
Nikkaji: J80.264F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 55,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 6
Schwere Atome: 19
Formalladung: 0
Komplexität: 270

Physikochemische Eigenschaften

Schmelzpunkt: 78 · 78-80 °C (lit.)
Siedepunkt: 427.6 · 427.6±48.0 °C(Predicted)
Dichte: 1.28 · 1.280±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform (Slightly), Ethyl Acetate (Slightly, Heated), Methanol (Slightly)
Aggregatzustand: Powder
pka: 1.53 · 1.53±0.50(Predicted)
Farbe: White to slightly yellow
BRN: 2055755 · 2055755
Stabilität: Moisture Sensitive
InChI: InChI=1S/C14H15O4P/c15-19(16,17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,15,16)
InChIKey: HDFFVHSMHLDSLO-UHFFFAOYSA-N
SMILES: P(O)(OCC1=CC=CC=C1)(OCC1=CC=CC=C1)=O
CAS Datenbank: 1623 · 1623-08-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Danger

H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Hazard Traits - Hazard Trait Undefined

Status: Cease Manufacture Update: 18-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19980

Hazard Classes and CategoriesSkin Irrit. 2 (60%)

Sicherheitsdaten

wgk: 3
hs_code: 29199000
safety_code: 22-24/25
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Dam. 1

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenDibenzyl phosphate (DBzP) can be used: To promote the monoselective ortho-C-H alkylation of N-quinolyl benzamides with primary and secondary alkyl iodides. For the ring-opening reaction of epoxide such as benzylglycidol to synthesize dihydroxyacetone phosphate (DHAP). As a reactant for the synthesis of stereospecific 1,2-trans glycosyl phosphates.