HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 6482003Erstellt: 4. November 2026
2-[(1H-1,2,4-triazol-1-yl)methyl]aniline
2-[(1,2,4-Triazol-1-yl)methyl]aniline · 2-(1H-1,2,4-Triazol-1-ylmethyl)aniline · Benzenamine, 2-(1H-1,2,4-triazol-1-ylmethyl)-
https://huagongshe.com/de/chemical/6482003
Identifikatoren & physikalische Daten
| CAS No. | 127988-21-0 |
|---|
| Summenformel | C9H10N4 |
|---|
| Durchschnittliche Molmasse | 174,2 g/mol |
|---|
| Monoisotopische Masse | 174,09054634 g/mol |
|---|
| SMILES | Nc1ccccc1Cn1cncn1 |
|---|
| InChIKey | CBGQHZNXHUCAGE-UHFFFAOYSA-N |
|---|
| PubChem CID | 6482003 |
|---|
| EC No. | 875-071-1 |
|---|
| DTXSID | DTXSID70424310 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
|---|
| Polarare Oberfläche (TPSA) | 56,7 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 3 |
|---|
| Frei drehbare Bindungen | 2 |
|---|
| Schwere Atome | 13 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 162 |
|---|
| Schmelzpunkt | 62-63 °C(Solv: ethyl ether (60-29-7)) |
|---|
| Siedepunkt | 402.5±47.0 °C(Predicted) |
|---|
| Dichte | 1.26±0.1 g/cm3(Predicted) |
|---|
| pKa (Säurekonstante) | 3.51±0.10(Predicted) |
|---|
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, P317, 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. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
|---|
| Zollcode | 2933998090 |
|---|
![Molekülstruktur von 2-[(1H-1,2,4-triazol-1-yl)methyl]aniline](/img/chemical/6482003.png)