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HCID 5180708Erstellt: 25. Oktober 2026

(4-Nitro-benzyl)-phosphonic acid

p-Nitrobenzylphosphonic acid · (4-Nitro-benzyl)-phosphonic acid · 4-Nitrobenzylphosphonic acid 97% · [(4-Nitrophenyl)methyl]phosphonic acid · Phosphonic acid, P-[(4-nitrophenyl)methyl]-

https://huagongshe.com/de/chemical/5180708

Molekülstruktur von (4-Nitro-benzyl)-phosphonic acid

Identifikatoren & physikalische Daten

CAS No.1205-62-5
SummenformelC7H8NO5P
Durchschnittliche Molmasse217,12 g/mol
Monoisotopische Masse217,01400899 g/mol
SMILESO=[N+]([O-])c1ccc(CP(=O)(O)O)cc1
InChIKeyFZNXRFYRXBFQMX-UHFFFAOYSA-N
PubChem CID5180708
ChEMBLCHEMBL3593255
EC No.694-392-6
DTXSIDDTXSID20409218

Chemische & physikalische Eigenschaften

XLogP0,1
Polarare Oberfläche (TPSA)103
H-Brücken-Donoren2
H-Brücken-Akzeptoren5
Frei drehbare Bindungen2
Schwere Atome14
Formalladung0
Komplexität249
Schmelzpunkt222-228°C
Siedepunkt494.0±47.0 °C(Predicted)
Dichte1.587±0.06 g/cm3(Predicted)
pKa (Säurekonstante)1.92±0.10(Predicted)
Aggregatzustandsolid
InChI1S/C7H8NO5P/c9-8(10)7-3-1-6(2-4-7)5-14(11,12)13/h1-4H,5H2,(H2,11,12,13)
InChIKeyFZNXRFYRXBFQMX-UHFFFAOYSA-N
SMILESOP(O)(=O)Cc1ccc(cc1)[N+]([O-])=O

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Wassergefährdungsklasse (WGK)3
R-Sätze (R)22
GefahrensymboleXn
Lagerklasse13 - Non Combustible Solids
GefahrenklasseAcute Tox. 4 Oral

Anwendungen & Verwendung

Verwenden

This molecule is capable of self-assembling on a variety of oxide surfaces. It has also been used to tune the electronic properties of electrodes in Dye-Sensitized Solar Cell Devices.