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HCID 12481Erstellt: 26. Oktober 2026
5-Chlorsalicylaldehyd
5-CHLORO-2-HYDROXYBENZALDEHYDE · orosaL · AKOS 90774 · 5-Cl-salicylal · 5-chloro-salicylal · TIMTEC-BB SBB004013 · 5-Chlorosalicylaldeh · 5-Chlorosalicyldehyde
https://huagongshe.com/de/chemical/12481
Identifikatoren & physikalische Daten
| CAS No. | 635-93-8 |
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| Summenformel | C7H5ClO2 |
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| Durchschnittliche Molmasse | 156,56 g/mol |
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| Monoisotopische Masse | 155,99780708 g/mol |
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| SMILES | O=Cc1cc(Cl)ccc1O |
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| InChIKey | FUGKCSRLAQKUHG-UHFFFAOYSA-N |
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| PubChem CID | 12481 |
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| ChEMBL | CHEMBL3660361 |
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| EC No. | 211-244-4 |
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| DTXSID | DTXSID7022099 |
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| Lokaler Name | 5-Chlorsalicylaldehyd |
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Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
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| Polarare Oberfläche (TPSA) | 37,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 127 |
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| SpringerMaterials Properties | Chemical shift |
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| Schmelzpunkt | 100-102 °C(lit.) |
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| Siedepunkt | 217.69°C (rough estimate) |
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| Dichte | 1.2683 (rough estimate) |
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| Brechungsindex | 1.5812 (estimate) |
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| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
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| Aggregatzustand | Crystalline Powder |
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| pKa (Säurekonstante) | 7.73±0.18(Predicted) |
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| Farbe | White to very slightly yellow |
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| BRN | 636632 |
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| InChI | InChI=1S/C7H5ClO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H |
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| InChIKey | FUGKCSRLAQKUHG-UHFFFAOYSA-N |
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| SMILES | C(=O)C1=CC(Cl)=CC=C1O |
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| LogP (Verteilungskoeffizient) | 2.570 (est) |
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| CAS Datenbank | 635-93-8(CAS DataBase Reference) |
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| NIST chemische Informationen | 5-Chloro-2-hydroxy benzaldehyde(635-93-8) |
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| EPA chemische Informationen | Benzaldehyde, 5-chloro-2-hydroxy- (635-93-8) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2% (1 of 50) of reports.WarningH315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (98%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| UN-Transportnummer | UN2811/6.1/PG III |
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| Zollcode | 29130000 |
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| RTECS-Nr. | VN5450000 |
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| R-Sätze (R) | 36/37/38-20/21/22 |
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| Gefahrensymbole | Xi,Xn |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 26-36-24/25-36/37/39 |
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| Gefahrenklasse | 9Aquatic Acute 1Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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