HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6-Methylanthranilic acid
ZR C1 BVQ · 2-Amino-6-methyl · RARECHEM AL BO 2325 · 6-AMINO-O-TOLUIC ACID · 6-Methylanthanilic acid · o-Toluic acid, 6-amino- · 6-METHYLANTHRANILIC ACID · Chloroprocaine Impurity 44
Identifikatoren & physikalische Daten
| CAS No. | 4389-50-8 |
|---|---|
| Summenformel | C8H9NO2 |
| Durchschnittliche Molmasse | 151,16 g/mol |
| Monoisotopische Masse | 151,06332853 g/mol |
| SMILES | Cc1cccc(N)c1C(=O)O |
| InChIKey | XHYVBIXKORFHFM-UHFFFAOYSA-N |
| PubChem CID | 151210 |
| EC No. | 629-030-8 |
| DTXSID | DTXSID90195979 |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 63,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 158 |
| Schmelzpunkt | 128-130 °C (dec.) (lit.) |
| Siedepunkt | 273.17°C (rough estimate) |
| Dichte | 1.2023 (rough estimate) |
| Brechungsindex | 1.5810 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Soluble in methanol. |
| pKa (Säurekonstante) | 1.95±0.31(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Light yellow to Dark green |
| BRN | 2803391 |
| Hauptanwendungen | peptide synthesis |
| InChI | InChI=1S/C8H9NO2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,9H2,1H3,(H,10,11) |
| InChIKey | XHYVBIXKORFHFM-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=C(C)C=CC=C1N |
| CAS Datenbank | 4389-50-8(CAS DataBase Reference) |
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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29224999 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-24/25 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Amino-6-methylbenzoic acid reacts with cyanogen bromide to prepare 2-amino-5-methyl-benzo[d][1,3]oxazin-4-one.