Diethyl 4-nitrobenzylphosphonate

HCID 256065

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Grundinformationen

CAS: 2609-49-6
Standard-SMILES: CCOP(=O)(Cc1ccc([N+](=O)[O-])cc1)OCC
InChIKey: FORMFFDDQMCTCT-UHFFFAOYSA-N
Summenformel: C11H16NO5P
Durchschnittliche Molmasse: 273,22 g/mol
Monoisotopische Masse: 273,07660924

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: Diethyl 4-nitrobenzylphosphonate
IUPAC: 1-(diethoxyphosphorylmethyl)-4-nitrobenzene
Englischer Name: Diethyl(4-nitrobenzyl)phosphonate
Summenformel: C11H16NO5P
Molmasse: 273.22

Namen und Synonyme

Diethyl 4-nitrobenzylphosphonateRefChem:9201532609-49-6diethyl(4-nitrobenzyl)phosphonateDiethyl (4-nitrobenzyl)phosphonate1-(diethoxyphosphorylmethyl)-4-nitrobenzeneMFCD00047747phosphonic acid, P-[(4-nitrophenyl)methyl]-, diethyl ester1-(diethoxyphosphorylmethyl)-4-nitro-benzeneSCHEMBL78561diethyl p-nitrobenzylphosphonatediethyl p-nitrobenzyl-phosphonate

Weitere Namen anzeigen

NSC 82303Diethyl (4DIETHYL (P-NITROBENZYL)PHOSPHONATEO,O-Diethyl (4-nitrobenzyl)phosphonateDiethyl(4-nitrobenzyl)phosphonate, 98 %4-[(Diethoxyphosphoryl)methyl]nitrobenzene4-Nitrobenzylphosphonic acid diethyl esterDiethyl (4-nitrobenzyl)phosphonate, 98% 5GR

(4-Nitrobenzyl)phosphonic Acid Diethyl Ester(p-nitrobenzyl)-phosphonic acid diethyl esterdiethyl (4-nitrophenyl)methylphosphonatediethyl (4-niNSC82303Phosphonic acid, [(4-nitrophenyl)methyl]-, diethyl esterdiethyl [(4-nitrophenyl)methyl]phosphonatediethyl-4-nitrobenzylphosphonate

Datenbank-Bezeichner

CAS: 2609-49-6
PubChem CID: 256065
DTXSID: DTXSID80292406
EC Number: 803-535-5
Nikkaji: J154.013K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 81,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 6
Schwere Atome: 18
Formalladung: 0
Komplexität: 299

Physikochemische Eigenschaften

Siedepunkt: 151 °C · 151 °C (0.1 mmHg)
Dichte: 1.24 · 1.24
Brechungsindex: 1.522 · 1.522-1.526
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: Liquid
Farbe: Clear yellow-orange to dark red
InChI: InChI=1S/C11H16NO5P/c1-3-16-18(15,17-4-2)9-10-5-7-11(8-6-10)12(13)14/h5-8H,3-4,9H2,1-2H3
InChIKey: FORMFFDDQMCTCT-UHFFFAOYSA-N
SMILES: P(CC1=CC=C([N+]([O-])=O)C=C1)(=O)(OCC)OCC

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2810 6.1 / PGIII
hs_code: 29319090
risk_code: 25
hazard_code: T
safety_code: 24/25-45
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 Oral