HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 79263Erstellt: 23. Oktober 2026
Methyl 2-bromo-3-nitrobenzoate
METHYL 2-BROMO-3-NITROBENZOATE · 2-bromo-3-nitro-benzoicacimethylester · 3-Nitro-2-bromobenzoic acid methyl ester · 2-BROMO-3-NITRO-BENZOIC ACID METHYL ESTER · Benzoic acid, 2-bromo-3-nitro-, methyl ester
https://huagongshe.com/de/chemical/79263
Identifikatoren & physikalische Daten
| CAS No. | 5337-09-7 |
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| Summenformel | C8H6BrNO4 |
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| Durchschnittliche Molmasse | 260,04 g/mol |
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| Monoisotopische Masse | 258,94801977 g/mol |
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| SMILES | COC(=O)c1cccc([N+](=O)[O-])c1Br |
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| InChIKey | YUWPKYJCYRFBJT-UHFFFAOYSA-N |
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| PubChem CID | 79263 |
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| EC No. | 812-859-6 |
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| DTXSID | DTXSID3073347 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
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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 | 2 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 240 |
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| Schmelzpunkt | 77 °C(Solv: methanol (67-56-1)) |
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| Siedepunkt | 300.0±20.0 °C(Predicted) |
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| Dichte | 1.673±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Löslichkeit | Chloroform, DCM, Ethyl Acetate |
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| Aggregatzustand | Solid |
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| Farbe | Off-White |
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| EPA chemische Informationen | Benzoic acid, 2-bromo-3-nitro-, methyl ester (5337-09-7) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 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 | Acute Tox. 4 (50%) |
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| Zollcode | 2916310090 |
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| R-Sätze (R) | 36/37/38 |
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| Sicherheitshinweise (S) | 26-36/37/39 |
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