HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 18617455Erstellt: 30. Oktober 2026
4-(2-Chloro-4-pyrimidinyl)benzoic acid
4-(2-Chloro-pyrimidin-4-yl)-benzoic acid · Benzoic acid, 4-(2-chloro-4-pyrimidinyl)-
https://huagongshe.com/de/chemical/18617455
Identifikatoren & physikalische Daten
| CAS No. | 281232-89-1 |
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| Summenformel | C11H7ClN2O2 |
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| Durchschnittliche Molmasse | 234,64 g/mol |
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| Monoisotopische Masse | 234,0196052 g/mol |
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| SMILES | O=C(O)c1ccc(-c2ccnc(Cl)n2)cc1 |
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| InChIKey | PIFZVVITMGNVMA-UHFFFAOYSA-N |
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| PubChem CID | 18617455 |
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| EC No. | 111-301-2 |
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| DTXSID | DTXSID001283940 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
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| Polarare Oberfläche (TPSA) | 63,1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 254 |
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| Aggregatzustand | solid |
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| InChI | 1S/C11H7ClN2O2/c12-11-13-6-5-9(14-11)7-1-3-8(4-2-7)10(15)16/h1-6H,(H,15,16) |
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| InChIKey | PIFZVVITMGNVMA-UHFFFAOYSA-N |
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| SMILES | ClC1=NC=CC(C2=CC=C(C(O)=O)C=C2)=N1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, 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 | Eye Irrit. 2Skin Irrit. 2Skin Sens. 1 |
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