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2-Amino-3-chlorbenzoesure
3-CHLOROANTHRANILIC ACID · NSC 20671 · 2-Amino-3-chL · 2-Amino-3-chloro · BUTTPARK 24\07-98 · TIMTEC-BB SBB003844 · 2-Amino-3-chlorbenzoesure · 3-ChloroanthranilicAcid>3-CHLORO-2-AMINOBENZOIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 6388-47-2 |
|---|---|
| Summenformel | C7H6ClNO2 |
| Durchschnittliche Molmasse | 171,58 g/mol |
| Monoisotopische Masse | 171,00870611 g/mol |
| SMILES | Nc1c(Cl)cccc1C(=O)O |
| InChIKey | LWUAMROXVQLJKA-UHFFFAOYSA-N |
| PubChem CID | 80807 |
| ChEMBL | CHEMBL5266424 |
| EC No. | 228-996-4 |
| DTXSID | DTXSID00213395 |
| Lokaler Name | 2-Amino-3-chlorbenzoesure |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 63,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 163 |
| Schmelzpunkt | 189-191 °C (lit.) |
| Siedepunkt | 0°C |
| Dichte | 1.476±0.06 g/cm3(Predicted) |
| Flammpunkt | 0°C |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | DMSO, MethanaolSoluble in water. |
| pKa (Säurekonstante) | 4.57±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Yellow to brown |
| Hauptanwendungen | peptide synthesis |
| InChI | InChI=1S/C7H6ClNO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H,10,11) |
| InChIKey | LWUAMROXVQLJKA-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=CC(Cl)=C1N |
| CAS Datenbank | 6388-47-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.3% (1 of 44) of reports.WarningH315 (97.7%): 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 44 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 (97.7%) |
| Wassergefährdungsklasse (WGK) | 1 |
| Zollcode | 29224999 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-37/39-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Amino-3-chlorobenzoic acid is used as pharmaceutical intermediates.