HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 147239Erstellt: 3. November 2026
Oxiranemethanol, 2-methyl-, 4-nitrobenzoate, (2S)-
(2S)-(+)-2-METHYLGLYCIDYL 4-NITROBENZOATE · 2-methyloxiranemethanol4-nitrobenzoate(2s)- · (2S)-(+)-2-Methylglycidyl 4-nitrobenzoate 98% · 2-methyl-,4-nitrobenzoate,(2s)-oxiranemethano · (2S)-2-methyloxiran-2-yl]methyl4-nitrobenzoate · (s)-(2-Methyloxiran-2-yl)methyl 4-nitrobenzoate · 2-Oxiranemethanol, 2-methyl-, 2-(4-nitrobenzoate), (2S)- · (2s)-(+)-(2,3-epoxy-2-methylpropylester)-4-nitrobenzoate
https://huagongshe.com/de/chemical/147239
Identifikatoren & physikalische Daten
| CAS No. | 118200-96-7 |
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| Summenformel | C11H11NO5 |
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| Durchschnittliche Molmasse | 237,21 g/mol |
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| Monoisotopische Masse | 237,06372245 g/mol |
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| SMILES | C[C@@]1(COC(=O)c2ccc([N+](=O)[O-])cc2)CO1 |
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| InChIKey | PUBTVFBOTFDPTA-LLVKDONJSA-N |
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| PubChem CID | 147239 |
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| EC No. | 623-956-6 |
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| DTXSID | DTXSID60152039 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
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| Polarare Oberfläche (TPSA) | 84,7 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 17 |
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| Formalladung | 0 |
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| Komplexität | 318 |
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| Schmelzpunkt | 87-89 °C (lit.) |
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| Siedepunkt | 379.74°C (rough estimate) |
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| Dichte | 1.3350 (rough estimate) |
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| Brechungsindex | 1.5300 (estimate) |
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| Lagerbedingungen | 2-8°C |
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| Aggregatzustand | solid |
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| InChI | 1S/C11H11NO5/c1-11(7-17-11)6-16-10(13)8-2-4-9(5-3-8)12(14)15/h2-5H,6-7H2,1H3/t11-/m1/s1 |
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| InChIKey | PUBTVFBOTFDPTA-LLVKDONJSA-N |
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| SMILES | C[C@@]2(COC(=O)c1ccc(cc1)[N+]([O-])=O)CO2 |
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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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| RTECS-Nr. | RR0510320 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36/37/39 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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