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HCID 109721Erstellt: 3. November 2026
p-Nitrophenyldihydrogenphosphat, Verbindung mit 2-Amino-2-(hydroxymethyl)propan-1,3-diol (1:2)
PNPP-TRIS · PNPP, 2TRIS · PNPP TRIS SALT · PNP-DITRIS SALT · Einecs 269-198-6 · P-NPP, DITRIS SALT · C6H6NO6P(C4H11NO3)2 · l)-1,3-propanediol(1:2)
https://huagongshe.com/de/chemical/109721
Identifikatoren & physikalische Daten
| CAS No. | 68189-42-4 |
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| Summenformel | C6H6NO6P.2C4H11NO3 |
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| Durchschnittliche Molmasse | 461,36 g/mol |
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| Monoisotopische Masse | 461,14105997 g/mol |
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| SMILES | NC(CO)(CO)CO.NC(CO)(CO)CO.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1 |
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| InChIKey | XXAXKCWOTRABOW-UHFFFAOYSA-N |
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| PubChem CID | 109721 |
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| EC No. | 269-198-6 |
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| DTXSID | DTXSID3071228 |
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| Lokaler Name | p-Nitrophenyldihydrogenphosphat, Verbindung mit 2-Amino-2-(hydroxymethyl)propan-1,3-diol (1:2) |
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Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 286 |
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| H-Brücken-Donoren | 10 |
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| H-Brücken-Akzeptoren | 14 |
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| Frei drehbare Bindungen | 8 |
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| Schwere Atome | 30 |
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| Formalladung | 0 |
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| Komplexität | 304 |
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| Lagerbedingungen | 2-8°C |
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| Löslichkeit | H2O: 0.1 g/mL, clearwater: soluble |
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| Aggregatzustand | Off-white to pale yellow solid |
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| Farbe | White to Orange to Green |
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| BRN | 1578142 |
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| InChI | 1S/C6H6NO6P.2C4H11NO3/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)122*5-4(1-6,2-7)3-8/h1-4H,(H2,10,11,12)2*6-8H,1-3,5H2 |
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| InChIKey | XXAXKCWOTRABOW-UHFFFAOYSA-N |
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| SMILES | NC(CO)(CO)CO.NC(CO)(CO)CO.OP(O)(=O)Oc1ccc(cc1)[N+]([O-])=O |
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| LogP (Verteilungskoeffizient) | -2.16 at 22℃ |
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| CAS Datenbank | 68189-42-4(CAS DataBase Reference) |
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| EPA chemische Informationen | Mono(p-nitrophenyl) phosphate 2-amino-2-(hydroxymethyl)-1,3-propanediol salt (1:2) (68189-42-4) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.WarningH302 (66.7%): 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | Chemical: Phosphoric acid, mono(4-nitrophenyl) ester, compound with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:2)Status: Active Update: 22-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32625 |
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| Hazard Classes and Categories | Acute Tox. 4 (66.7%) |
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| F | 8-10-21 |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 29199000 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36-24/25 |
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| Lagerklasse | 11 - Combustible Solids |
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