HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Chloranthranilsure
5-CHLOROANTHRANILIC ACID · 2-CARBOXY-4-CHLOROANILINE · NSC 404157 · 2-Amino-5-chL · RARECHEM AL BO 0288 · 5-Chloranthranilsure · OTAVA-BB BB7020040772 · 5-Chloro-2-amino acid
Identifikatoren & physikalische Daten
| CAS No. | 635-21-2 |
|---|---|
| Summenformel | C7H6ClNO2 |
| Durchschnittliche Molmasse | 171,58 g/mol |
| Monoisotopische Masse | 171,00870611 g/mol |
| SMILES | Nc1ccc(Cl)cc1C(=O)O |
| InChIKey | IFXKXCLVKQVVDI-UHFFFAOYSA-N |
| PubChem CID | 12476 |
| ChEMBL | CHEMBL36767 |
| ChEBI | CHEBI:166853 |
| EC No. | 211-230-8 |
| DTXSID | DTXSID8060901 |
| Lokaler Name | 5-Chloranthranilsure |
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 |
| Stoffklassen | Nitrogen Compounds -> Aminobenzoic Acids |
| LogP (Verteilungskoeffizient) | 2.0 |
| Dampfdruck | 0.0000532 [mmHg] |
| Physical Description | Tan chunks or powder[Alfa Aesar MSDS] |
| Schmelzpunkt | 204-206 °C (dec.) (lit.) |
| Siedepunkt | 250°C (rough estimate) |
| Dichte | 1.3246 (rough estimate) |
| Brechungsindex | 1.5560 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly)Soluble in water. |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 4.57±0.10(Predicted) |
| Farbe | White to Pale Grey |
| BRN | 639027 |
| Hauptanwendungen | peptide synthesis |
| InChI | 1S/C7H6ClNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11) |
| InChIKey | IFXKXCLVKQVVDI-UHFFFAOYSA-N |
| SMILES | Nc1ccc(Cl)cc1C(O)=O |
| CAS Datenbank | 635-21-2(CAS DataBase Reference) |
| NIST chemische Informationen | Benzoic acid, 2-amino-5-chloro-(635-21-2) |
| EPA chemische Informationen | Benzoic acid, 2-amino-5-chloro- (635-21-2) |
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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzoic acid, 2-amino-5-chloro-2-Amino-5-chlorobenzoic acid: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and strong eye irritant[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29224999 |
| R-Sätze (R) | 36/37/38-37/38-36 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Amino-5-chlorobenzoic acid is a chlorinated derivative of antharilic acid,it is a metabolite of the pesticide Chlordimeform and it is used in the preparation of disease-modifying antirheumatic drugs (DMARDs).