HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 22679883Erstellt: 31. Oktober 2026
4-(4-Chloro-3-methylphenoxy)-benzoic acid
Benzoic acid, 4-(4-chloro-3-methylphenoxy)- · JR-7133, 4-(4-Chloro-3-methylphenoxy)benzoic acid, 97%
https://huagongshe.com/de/chemical/22679883
Identifikatoren & physikalische Daten
| CAS No. | 925005-02-3 |
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| Summenformel | C14H11ClO3 |
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| Durchschnittliche Molmasse | 262,69 g/mol |
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| Monoisotopische Masse | 262,0396719 g/mol |
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| SMILES | Cc1cc(Oc2ccc(C(=O)O)cc2)ccc1Cl |
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| InChIKey | VWWOQOMNFSOVPN-UHFFFAOYSA-N |
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| PubChem CID | 22679883 |
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| EC No. | 111-828-8 |
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Chemische & physikalische Eigenschaften
| XLogP | 4 |
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| Polarare Oberfläche (TPSA) | 46,5 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 18 |
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| Formalladung | 0 |
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| Komplexität | 287 |
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| Siedepunkt | 402.6±35.0 °C(Predicted) |
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| Dichte | 1.308±0.06 g/cm3(Predicted) |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | 4.27±0.10(Predicted) |
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| InChI | 1S/C14H11ClO3/c1-9-8-12(6-7-13(9)15)18-11-4-2-10(3-5-11)14(16)17/h2-8H,1H3,(H,16,17) |
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| InChIKey | VWWOQOMNFSOVPN-UHFFFAOYSA-N |
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| SMILES | CC1=CC(OC2=CC=C(C(O)=O)C=C2)=CC=C1Cl |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2 |
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