HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 643299Erstellt: 2. November 2026
2-(Methylamino)-5-nitrobenzoic acid
Benzoic acid, 2-(methylamino)-5-nitro-
https://huagongshe.com/de/chemical/643299
Identifikatoren & physikalische Daten
| CAS No. | 3484-33-1 |
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| Summenformel | C8H8N2O4 |
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| Durchschnittliche Molmasse | 196,16 g/mol |
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| Monoisotopische Masse | 196,04840674 g/mol |
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| SMILES | CNc1ccc([N+](=O)[O-])cc1C(=O)O |
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| InChIKey | FAVDVRYGVZMEFI-UHFFFAOYSA-N |
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| PubChem CID | 643299 |
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| ChEMBL | CHEMBL288945 |
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| EC No. | 983-006-4 |
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| DTXSID | DTXSID80349141 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
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| Polarare Oberfläche (TPSA) | 95,2 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 5 |
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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 | 238 |
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| Löslichkeit | 26.7 [ug/mL] (The mean of the results at pH 7.4) |
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| Lagerbedingungen | 2-8°C, protect from light |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Zollcode | 2922498590 |
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