Diethyl 4-chlorobenzylphosphonate

HCID 99240CAS 39225-17-7

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Grundinformationen

Standard-SMILES: CCOP(=O)(Cc1ccc(Cl)cc1)OCC
InChIKey: BVQPVBZRJSFOEZ-UHFFFAOYSA-N
Summenformel: C11H16ClO3P
Durchschnittliche Molmasse: 262,67 g/mol
Monoisotopische Masse: 262,05255868

Namen und Bezeichner

Bevorzugter Name: Diethyl 4-chlorobenzylphosphonate
IUPAC: 1-chloro-4-(diethoxyphosphorylmethyl)benzene
Englischer Name: Diethyl 4-chlorobenzylphosphonate
Summenformel: C11H16ClO3P
Molmasse: 262.67

Namen und Synonyme

Diethyl 4-chlorobenzylphosphonate1-chloro-4-(diethoxyphosphorylmethyl)benzene0HV6QW8F6XNSC-202843EINECS 254-365-8DTXSID70192486NSC 202843DIETHYL (P-CHLOROBENZYL)PHOSPHONATERefChem:587168DTXCID80114977254-365-839225-17-7

Weitere Namen anzeigen

DIETHYL 4-CHLOROBENZYLPHOSPHATEDIETHYL-(4-CHLORBENZYL)-PHOSPHONATDiethyl(4-Chlorobenzyl)phosphonate>Diethyl4-chlorobenzylphosphonate,98+%p-(Chlorobenzyl)phosphonic acid diethyl ester(4-CHLOROBENZYL)PHOSPHONIC ACID DIETHYL ESTERDiethyl P-[(4-chlorophenyl)methyl]phosphonate

Diethyl (4-Chlorobenzyl)phosphonatediethyl [(4-chlorophenyl)methyl]phosphonateMFCD00051568SCHEMBL917064Phosphonic acid, [(4-chlorophenyl)methyl]-, diethyl esterNSC202843AKOS0158503094-chlorobenzyl-phosphonic acid diethyl ester

Datenbank-Bezeichner

CAS: 39225-17-7
PubChem CID: 99240
DTXSID: DTXSID70192486
UNII: 0HV6QW8F6X
EC Number: 254-365-8
Nikkaji: J106.022H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 35,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 6
Schwere Atome: 16
Formalladung: 0
Komplexität: 229

Physikochemische Eigenschaften

Siedepunkt: 162 °C · 162 °C(lit.)
Dichte: 1.19 g/mL · 1.19 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.509(lit.)
Flammpunkt: 230 °F · 230 °F
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: Liquid
Farbe: Clear colorless
BRN: 1346690 · 1346690
InChI: 1S/C11H16ClO3P/c1-3-14-16(13,15-4-2)9-10-5-7-11(12)8-6-10/h5-8H,3-4,9H2,1-2H3
InChIKey: BVQPVBZRJSFOEZ-UHFFFAOYSA-N
SMILES: CCOP(=O)(Cc1ccc(Cl)cc1)OCC
CAS Datenbank: 39225 · 39225-17-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29319000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26
Speicherklasse: 12 - Non Combustible Liquids

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenReactant for:Preparation of chromenone and chromene derivatives as anti-picornavirus capsid-bindersPreparation of wide band gap monomers and silafluorene copolymers with blue electroluminescence, as emitter layer in organic LEDsAsymmetric synthesis of gamma-nitrophosphonates via Michael addition with nitroalkenesWittig-Horner reactions