HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Chlorsalicylsäure
5-CHLOROSALICYLIC ACID · Benzoic acid, 5-chloro-2-hydroxy- · 5 CSA · JACS-321-14-2 · RARECHEM AL BO 0847 · 5-Chlorosalicylic ac · 5-chloro-salicylicaci · 5-ChlorosaliclylicAcid
Identifikatoren & physikalische Daten
| CAS No. | 321-14-2 |
|---|---|
| Summenformel | C7H5ClO3 |
| Durchschnittliche Molmasse | 172,56 g/mol |
| Monoisotopische Masse | 171,9927217 g/mol |
| SMILES | O=C(O)c1cc(Cl)ccc1O |
| InChIKey | NKBASRXWGAGQDP-UHFFFAOYSA-N |
| PubChem CID | 9447 |
| ChEMBL | CHEMBL1375 |
| ChEBI | CHEBI:420128 |
| EC No. | 206-283-9 |
| DTXSID | DTXSID7059806 |
| Lokaler Name | 5-Chlorsalicylsäure |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 57,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 160 |
| SpringerMaterials Properties | Crystal structure |
| LogP (Verteilungskoeffizient) | 2.9 |
| Schmelzpunkt | 171-172 °C(lit.) |
| Siedepunkt | 244.67°C (rough estimate) |
| Dichte | 1.3766 (rough estimate) |
| Brechungsindex | 1.4580 (estimate) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | 1g/l1 g/L (20 ºC) |
| pKa (Säurekonstante) | pK1:2.63 (25°C) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Almost white |
| pH | 2.5 (H2O, 20℃)(aqueous suspension) |
| BRN | 2046665 |
| Kosmetik-Inhaltsstoffe Funktionen | SKIN CONDITIONING |
| InChI | 1S/C7H5ClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11) |
| InChIKey | NKBASRXWGAGQDP-UHFFFAOYSA-N |
| SMILES | OC(=O)c1cc(Cl)ccc1O |
| LogP (Verteilungskoeffizient) | 3.090 |
| CAS Datenbank | 321-14-2(CAS DataBase Reference) |
| NIST chemische Informationen | 5-Chlorosalicylic acid(321-14-2) |
| EPA chemische Informationen | Benzoic acid, 5-chloro-2-hydroxy- (321-14-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (98.3%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 58 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 22-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/178655-Chloro-2-hydroxybenzoic acid: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 3 (98.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2811 6.1/PG 3 |
| Zollcode | 29182990 |
| RTECS-Nr. | VO2080000 |
| R-Sätze (R) | 22-36/38-36/37/38-20/21/22 |
| Toxizität | LD50 oral in rat: 250mg/kg |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Gefahrenklasse | 6.1Acute Tox. 3 Oral |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
Moth-proofing, insecticide, intermediate for pharmaceuticals, dyes, pesticides.