HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 247995Erstellt: 27. Oktober 2026
Methyl 4-methyl-4-nitropentanoate
Nsc63913 · Methyl 4-nitro-4-valerate · Methyl 4-methyl-4-nitropentanoate · Methyl 4-methyl-4-nitropentanoate 96% · Methyl 4-methyl-4-nitropentanoate ,98% · 4-methyl-4-nitro-valeric acid methyl ester · 4-Methyl-4-nitropentanoic acid methyl ester · 4-NITRO-4-METHYLPENTANOIC ACID METHYL ESTER
https://huagongshe.com/de/chemical/247995
Identifikatoren & physikalische Daten
| CAS No. | 16507-02-1 |
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| Summenformel | C7H13NO4 |
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| Durchschnittliche Molmasse | 175,18 g/mol |
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| Monoisotopische Masse | 175,0844579 g/mol |
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| SMILES | COC(=O)CCC(C)(C)[N+](=O)[O-] |
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| InChIKey | MROVMGGCWUQHMR-UHFFFAOYSA-N |
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| PubChem CID | 247995 |
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| EC No. | 627-862-6 |
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| DTXSID | DTXSID30289780 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
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| Polarare Oberfläche (TPSA) | 72,1 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 182 |
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| Siedepunkt | 79 °C/1 mmHg (lit.) |
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| Dichte | 1.114 g/mL at 25 °C (lit.) |
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| Brechungsindex | n20/D 1.441(lit.) |
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| Flammpunkt | >230 °F |
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| Lagerbedingungen | Store at room temperature |
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| Aggregatzustand | liquid |
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| InChI | InChI=1S/C7H13NO4/c1-7(2,8(10)11)5-4-6(9)12-3/h4-5H2,1-3H3 |
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| InChIKey | MROVMGGCWUQHMR-UHFFFAOYSA-N |
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| SMILES | C(OC)(=O)CCC(C)([N+]([O-])=O)C |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 2915907098 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-37/39 |
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| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 10 - Combustible liquids |
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