HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 17211Erstellt: 26. Oktober 2026
4-Amino-3-chlorbenzoesure
BUTTPARK 29\06-53 · 4-Amino-3-chlorobe · RARECHEM AL BO 0579 · Curcumin Impurity 6 · 4-Amino-3-chlorobenz · 3-chloro-4-aminobenzoate · 4-Carboxy-2-chloroaniline · 4-AMINO-3-CHLORBENZOIC ACID
https://huagongshe.com/de/chemical/17211
Identifikatoren & physikalische Daten
| CAS No. | 2486-71-7 |
|---|
| Summenformel | C7H6ClNO2 |
|---|
| Durchschnittliche Molmasse | 171,58 g/mol |
|---|
| Monoisotopische Masse | 171,00870611 g/mol |
|---|
| SMILES | Nc1ccc(C(=O)O)cc1Cl |
|---|
| InChIKey | YIYBPEDZAUFQLO-UHFFFAOYSA-N |
|---|
| PubChem CID | 17211 |
|---|
| ChEMBL | CHEMBL3278368 |
|---|
| EC No. | 219-630-4 |
|---|
| DTXSID | DTXSID00179563 |
|---|
| Lokaler Name | 4-Amino-3-chlorbenzoesure |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|
| Polarare Oberfläche (TPSA) | 63,3 |
|---|
| H-Brücken-Donoren | 2 |
|---|
| H-Brücken-Akzeptoren | 3 |
|---|
| Frei drehbare Bindungen | 1 |
|---|
| Schwere Atome | 11 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 163 |
|---|
| LogP (Verteilungskoeffizient) | 2.35 |
|---|
| Schmelzpunkt | 228 °C |
|---|
| Siedepunkt | 341.2±27.0 °C(Predicted) |
|---|
| Dichte | 1.476±0.06 g/cm3(Predicted) |
|---|
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
|---|
| Löslichkeit | soluble in Methanol |
|---|
| Aggregatzustand | powder to crystal |
|---|
| pKa (Säurekonstante) | 4.49±0.10(Predicted) |
|---|
| Farbe | White to Orange to Green |
|---|
| Hauptanwendungen | peptide synthesis |
|---|
| InChI | 1S/C7H6ClNO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,9H2,(H,10,11) |
|---|
| InChIKey | YIYBPEDZAUFQLO-UHFFFAOYSA-N |
|---|
| SMILES | Nc1ccc(cc1Cl)C(O)=O |
|---|
| CAS Datenbank | 2486-71-7(CAS DataBase Reference) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.3% (1 of 43) of reports.WarningH302 (93%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (93%) |
|---|
| Wassergefährdungsklasse (WGK) | 3 |
|---|
| Zollcode | 29224999 |
|---|
| R-Sätze (R) | 22-36/37/38 |
|---|
| Gefahrensymbole | Xn |
|---|
| Sicherheitshinweise (S) | 26-36/37 |
|---|
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
|---|
| Lagerklasse | 11 - Combustible Solids |
|---|
