HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 76839Erstellt: 24. Oktober 2026
Butylphosphonic Acid
butylphosphonic acid · Nsc 38367 · 1-BUTYLPHOSPHONIC ACID · n-Butylphosphonic Acid · Phosphonic acid, butyl- · n-Butanephosphonic acid · 1-Butanephosphonic acid · Disodium butylphosphonate
https://huagongshe.com/de/chemical/76839
Identifikatoren & physikalische Daten
| CAS No. | 3321-64-0 |
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| Summenformel | C4.H11.O3.P |
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| Durchschnittliche Molmasse | 138,1 g/mol |
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| Monoisotopische Masse | 138,04458084 g/mol |
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| SMILES | CCCCP(=O)(O)O |
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| InChIKey | UOKRBSXOBUKDGE-UHFFFAOYSA-N |
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| PubChem CID | 76839 |
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| ChEBI | CHEBI:41384 |
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| EC No. | 679-394-7 |
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| DTXSID | DTXSID30186861 |
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Chemische & physikalische Eigenschaften
| XLogP | -0,3 |
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| Polarare Oberfläche (TPSA) | 57,5 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 8 |
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| Formalladung | 0 |
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| Komplexität | 95,5 |
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| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
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| SpringerMaterials Properties | 31P nuclear magnetic resonance spectrum |
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| Schmelzpunkt | 105-107°C |
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| Siedepunkt | 274.8±23.0 °C(Predicted) |
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| Dichte | 1.214±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Store at room temperature |
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| Löslichkeit | Soluble in water |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 2.66±0.10(Predicted) |
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| Farbe | White to Almost white |
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| BRN | 1749026 |
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| InChI | InChI=1S/C4H11O3P/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H2,5,6,7) |
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| InChIKey | UOKRBSXOBUKDGE-UHFFFAOYSA-N |
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| SMILES | P(CCCC)(=O)(O)O |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Corr. 1B (100%) |
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| Protective Action Criteria (PAC) | 9.6 [mg/m3]110 [mg/m3]630 [mg/m3] |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | 3261 |
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| Zollcode | 2931.39.0030 |
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| R-Sätze (R) | 34-14 |
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| Gefahrensymbole | C |
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| Sicherheitshinweise (S) | 26-36/37/39-45 |
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| Gefahrenklasse | 8Skin Corr. 1B |
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| Verpackungsgruppe | III |
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| Lagerklasse | 8A - Combustible corrosive hazardous materials |
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