HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 313444Erstellt: 27. Oktober 2026
3-Amino-4-chloroindazole
4-Chloro-1H-indazol-3-amine · 1H-Indazol-3-aMine, 4-chloro · 3-Amino-4-chloro-1H-indazole · 4-CHLORO-1H-INDAZOL-3-YLAMINE · 4-Chloro-2H-indazol-3-ylamine · 3-Amino-4-chloro-1H-indazole,97% · 1H-Indazol-3-aMine, 4-chloro-Mes · 3-Amino-4-chloro-1H-indazole 95%
https://huagongshe.com/de/chemical/313444
Identifikatoren & physikalische Daten
| CAS No. | 20925-60-4 |
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| Summenformel | C7H6ClN3 |
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| Durchschnittliche Molmasse | 167,59 g/mol |
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| Monoisotopische Masse | 167,02502487 g/mol |
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| SMILES | Nc1n[nH]c2cccc(Cl)c12 |
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| InChIKey | QPLXQNVPEHUPTR-UHFFFAOYSA-N |
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| PubChem CID | 313444 |
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| ChEMBL | CHEMBL1333961 |
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| ChEBI | CHEBI:183661 |
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| EC No. | 692-543-0 |
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| DTXSID | DTXSID80310477 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
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| Polarare Oberfläche (TPSA) | 54,7 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 153 |
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| LogP (Verteilungskoeffizient) | 1.92 |
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| Löslichkeit | 11 [ug/mL] (The mean of the results at pH 7.4) |
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| Schmelzpunkt | 159-162 |
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| Siedepunkt | 408.7±25.0 °C(Predicted) |
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| Dichte | 1.533±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
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| pKa (Säurekonstante) | 13.72±0.40(Predicted) |
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| InChI | InChI=1S/C7H6ClN3/c8-4-2-1-3-5-6(4)7(9)11-10-5/h1-3H,(H3,9,10,11) |
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| InChIKey | QPLXQNVPEHUPTR-UHFFFAOYSA-N |
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| SMILES | N1C2=C(C(Cl)=CC=C2)C(N)=N1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, 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. 3 (100%) |
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| Zollcode | 29339900 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 24/25 |
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| Gefahrenklasse | IRRITANT |
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