HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 98736Erstellt: 27. Oktober 2026
3-Amino-1-phenyl-2-pyrazolin
3-amino-1-phenyl-2-pyrazoline · AKOS BOR-BB-010 · AKOS BBS-00006530 · TIMTEC-BB SBB009983 · WLN: T5NN BUTJ AR& CZ · 1-fenyl-3-aminopyrazolin · 3-Amino-1-phenylpyrazole · 3-amino-1-fenyl-2-pyrazolin
https://huagongshe.com/de/chemical/98736
Identifikatoren & physikalische Daten
| CAS No. | 3314-35-0 |
|---|
| Summenformel | C9H11N3 |
|---|
| Durchschnittliche Molmasse | 161,2 g/mol |
|---|
| Monoisotopische Masse | 161,09529735 g/mol |
|---|
| SMILES | NC1=NN(c2ccccc2)CC1 |
|---|
| InChIKey | QENUTIJJGGTTPE-UHFFFAOYSA-N |
|---|
| PubChem CID | 98736 |
|---|
| EC No. | 222-005-9 |
|---|
| DTXSID | DTXSID00186792 |
|---|
| Lokaler Name | 3-Amino-1-phenyl-2-pyrazolin |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|
| Polarare Oberfläche (TPSA) | 41,6 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 2 |
|---|
| Frei drehbare Bindungen | 1 |
|---|
| Schwere Atome | 12 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 182 |
|---|
| Schmelzpunkt | 168-170°C |
|---|
| Siedepunkt | 277.51°C (rough estimate) |
|---|
| Dichte | 1.1462 (rough estimate) |
|---|
| Brechungsindex | 1.5330 (estimate) |
|---|
| Lagerbedingungen | 2-8°C, protect from light |
|---|
| pKa (Säurekonstante) | 3.58±0.70(Predicted) |
|---|
| Aggregatzustand | solid |
|---|
| BRN | 139162 |
|---|
| InChI | 1S/C9H11N3/c10-9-6-7-12(11-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11) |
|---|
| InChIKey | QENUTIJJGGTTPE-UHFFFAOYSA-N |
|---|
| SMILES | NC1=NN(CC1)c2ccccc2 |
|---|
| CAS Datenbank | 3314-35-0(CAS DataBase Reference) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (90.7%) |
|---|
| Wassergefährdungsklasse (WGK) | 3 |
|---|
| RTECS-Nr. | UQ8910000 |
|---|
| R-Sätze (R) | 36-22 |
|---|
| Toxizität | LD50 orl-rat: 78 mg/kg 28ZPAK -,144,72 |
|---|
| Gefahrensymbole | Xi,Xn |
|---|
| Sicherheitshinweise (S) | 26-37/39 |
|---|
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Irrit. 2 |
|---|
| Lagerklasse | 11 - Combustible Solids |
|---|
