HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 76255Erstellt: 25. Oktober 2026
6-Amino-m-toluylsure
5-METHYLANTHRANILIC ACID · NSC 50786 · NSC 39154 · Fluralaner-032 · 2-Amino-5-methyL · BUTTPARK 41\07-01 · 6-Amino-m-toluylsure · Cetilistat Impurity 6
https://huagongshe.com/de/chemical/76255
Identifikatoren & physikalische Daten
| CAS No. | 2941-78-8 |
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| Summenformel | C8H9NO2 |
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| Durchschnittliche Molmasse | 151,16 g/mol |
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| Monoisotopische Masse | 151,06332853 g/mol |
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| SMILES | Cc1ccc(N)c(C(=O)O)c1 |
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| InChIKey | NBUUUJWWOARGNW-UHFFFAOYSA-N |
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| PubChem CID | 76255 |
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| EC No. | 220-932-3 |
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| DTXSID | DTXSID40183629 |
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| Lokaler Name | 6-Amino-m-toluylsure |
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Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
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| Polarare Oberfläche (TPSA) | 63,3 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 158 |
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| Schmelzpunkt | 175 °C (dec.) (lit.) |
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| Siedepunkt | 273.17°C (rough estimate) |
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| Dichte | 1.2023 (rough estimate) |
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| Brechungsindex | 1.5810 (estimate) |
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| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
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| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
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| Aggregatzustand | Powder |
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| pKa (Säurekonstante) | 2.27±0.10(Predicted) |
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| Farbe | Off-white to beige |
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| BRN | 1101527 |
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| Hauptanwendungen | peptide synthesis |
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| InChI | InChI=1S/C8H9NO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,9H2,1H3,(H,10,11) |
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| InChIKey | NBUUUJWWOARGNW-UHFFFAOYSA-N |
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| SMILES | C(O)(=O)C1=CC(C)=CC=C1N |
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| CAS Datenbank | 2941-78-8(CAS DataBase Reference) |
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| NIST chemische Informationen | 2-Amino-5-methylbenzoic acid(2941-78-8) |
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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 51 reports by companies from 8 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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| F | 10 |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29224999 |
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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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| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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