HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 100643Erstellt: 4. November 2026
Aniline, 3-(1H-tetrazol-5-yl)-
3-(1H-TETRAZOL-5-YL)ANILINE · 3-(2H-tetrazol-5-yl)aniline · Isaminophenyl tetrazolium · 5-(3-AMINOPHENYL)TETRAZOLE · 5-(m-aminophenyl)tetrazole · 3-(1h-tetrazol-5-yl)-anilin · 5-(3-aminophenyl)-1h-tetrazol · 5-(3-Aminophenyl)-1H-tetrazole
https://huagongshe.com/de/chemical/100643
Identifikatoren & physikalische Daten
| CAS No. | 73732-51-1 |
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| Summenformel | C7H7N5 |
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| Durchschnittliche Molmasse | 161,16 g/mol |
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| Monoisotopische Masse | 161,07014524 g/mol |
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| SMILES | Nc1cccc(-c2nn[nH]n2)c1 |
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| InChIKey | FLGISLVJQPPAMV-UHFFFAOYSA-N |
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| PubChem CID | 100643 |
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| EC No. | 675-390-4 |
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| DTXSID | DTXSID50224057 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
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| Polarare Oberfläche (TPSA) | 80,5 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 151 |
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| Schmelzpunkt | 202-205°C |
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| Siedepunkt | 440.5±47.0 °C(Predicted) |
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| Dichte | 1.401±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 4.84±0.10(Predicted) |
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| Löslichkeit | Soluble in water. |
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| InChI | InChI=1S/C7H7N5/c8-6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4H,8H2,(H,9,10,11,12) |
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| InChIKey | FLGISLVJQPPAMV-UHFFFAOYSA-N |
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| SMILES | C1(N)=CC=CC(C2=NNN=N2)=C1 |
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| CAS Datenbank | 73732-51-1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 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 (97.8%) |
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| Zollcode | 2933998090 |
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| RTECS-Nr. | BY9276000 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 26-36/37/39 |
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