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4-Chloranthranilsaeure
4-CHLOROANTHRANILIC ACID · 2,4-ACBA · LR-81 · 2-Amino-4-chL · RARECHEM AL BO 0400 · 2-Amino-4-chlorobenz · 4-chloro-2-aMino acid · 4-chloroanthranil acid
Identifikatoren & physikalische Daten
| CAS No. | 89-77-0 |
|---|---|
| Summenformel | C7H6ClNO2 |
| Durchschnittliche Molmasse | 171,58 g/mol |
| Monoisotopische Masse | 171,00870611 g/mol |
| SMILES | Nc1cc(Cl)ccc1C(=O)O |
| InChIKey | JYYLQSCZISREGY-UHFFFAOYSA-N |
| PubChem CID | 66646 |
| ChEBI | CHEBI:194581 |
| EC No. | 201-938-5 |
| DTXSID | DTXSID80237473 |
| Lokaler Name | 4-Chloranthranilsaeure |
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 | 163 |
| Schmelzpunkt | 231-233 °C (lit.) |
| Siedepunkt | 250°C (rough estimate) |
| Dichte | 1.3246 (rough estimate) |
| Brechungsindex | 1.5560 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | almost transparency in 1mol/L NaOHslightly soluble |
| pKa (Säurekonstante) | 4.71±0.10(Predicted) |
| Aggregatzustand | Powder |
| Farbe | Beige to light brown |
| BRN | 743349 |
| Hauptanwendungen | peptide synthesis |
| InChI | InChI=1S/C7H6ClNO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11) |
| InChIKey | JYYLQSCZISREGY-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=C(Cl)C=C1N |
| CAS Datenbank | 89-77-0(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Amino-4-chlorobenzoic acid(89-77-0) |
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 56 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 08-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25781Benzoic acid, 2-amino-4-chloro-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29163990 |
| RTECS-Nr. | DG1570000 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Amino-4-chlorobenzoic acid serves as the ligand L in the solvothermal synthesis of the terbium complex [Tb(L)2(H2O)3·H2O], which exhibits bright yellow-green luminescence[1]. 2-Amino-4-chlorobenzoic acid (2-A-4-CBA), acting as the first ligand, combines with 1,10-phenanthroline, the second ligand, to form the neodymium ternary complex Eu(2-A-4-CBA)₃phen. The compound is dissolved in ethanol to serve as a reference standard in thin layer chromatography (TLC) for detecting unreacted ligands in synthesized complexes[2].