HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 615212Erstellt: 3. November 2026
4-((3,5-Dimethyl-1H-pyrazol-1-yl)methyl)benzoic acid
AKOS BB1097 · AKOS B003335 · AKOS PAO-0077 · VITAS-BB TBB001153 · IFLAB-BB F2169-0873 · ART-CHEM-BB B003335 · CHEMBRDG-BB 4400242 · TIMTEC-BB SBB009221
https://huagongshe.com/de/chemical/615212
Identifikatoren & physikalische Daten
| CAS No. | 312531-87-6 |
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| Summenformel | C13H14N2O2 |
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| Durchschnittliche Molmasse | 230,26 g/mol |
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| Monoisotopische Masse | 230,10552769 g/mol |
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| SMILES | Cc1cc(C)n(Cc2ccc(C(=O)O)cc2)n1 |
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| InChIKey | ORMOJZFLVSEQOR-UHFFFAOYSA-N |
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| PubChem CID | 615212 |
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| ChEMBL | CHEMBL1549054 |
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| EC No. | 842-666-2 |
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| DTXSID | DTXSID30346807 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
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| Polarare Oberfläche (TPSA) | 55,1 |
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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 | 17 |
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| Formalladung | 0 |
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| Komplexität | 275 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| R-Sätze (R) | 22 |
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| Gefahrensymbole | Xi,Xn |
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| Gefahrenklasse | IRRITANT |
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