HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 6971Erstellt: 24. Oktober 2026
2-Acetamidobenzoesure
AKOS 92175 · Lappaconiticacid · 2-acetamidobenzoate · 2-carboxyacetanilide · N-Acetylantranilzuur · acetylanthranilicacid · 2-ACETAMIDOBENOIC ACID · o-acetamidoanthranilic
https://huagongshe.com/de/chemical/6971
Identifikatoren & physikalische Daten
| CAS No. | 89-52-1 |
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| Summenformel | C9H9NO3 |
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| Durchschnittliche Molmasse | 179,17 g/mol |
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| Monoisotopische Masse | 179,05824315 g/mol |
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| SMILES | CC(=O)Nc1ccccc1C(=O)O |
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| InChIKey | QSACCXVHEVWNMX-UHFFFAOYSA-N |
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| PubChem CID | 6971 |
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| ChEBI | CHEBI:36555 |
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| EC No. | 201-914-4 |
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| DTXSID | DTXSID9058991 |
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| Lokaler Name | 2-Acetamidobenzoesure |
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Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
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| Polarare Oberfläche (TPSA) | 66,4 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 215 |
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| Schmelzpunkt | 184-187 °C(lit.) |
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| Siedepunkt | 311.69°C (rough estimate) |
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| Dichte | 1.2822 (rough estimate) |
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| Brechungsindex | 1.5600 (estimate) |
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| Löslichkeit | DMF: 30 mg/mlDMSO: 30 mg/mlEthanol: 30 mg/mlPBS (pH 7.2): 0.5 mg/mlslightly soluble |
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| Aggregatzustand | A crystalline solid |
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| pKa (Säurekonstante) | pK1: 3.63 (25°C) |
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| BRN | 880371 |
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| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents. |
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| CAS Datenbank | 89-52-1(CAS DataBase Reference) |
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| EPA chemische Informationen | Benzoic acid, 2-(acetylamino)- (89-52-1) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (98.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 72 reports by companies from 3 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | List I Chemical: A chemical specified by regulation that, in addition to legitimate uses, is used in manufacturing a controlled substance in violation of the Act and is important to the manufacture of a controlled substance. (21 eCFR 1310.02) |
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| Hazard Classes and Categories | Acute Tox. 4 (98.6%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 29242300 |
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| RTECS-Nr. | CB2455000 |
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| R-Sätze (R) | 22-36/37/38 |
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| Toxizität | LD50 orl-mus: 1114 mg/kg FRPSAX 38,847,83 |
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| Gefahrensymbole | Xn,Xi |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 36-37/39-26 |
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