HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 66059Erstellt: 26. Oktober 2026
3-Pyrrolin
2,5-Dihydro-1H-pyrrole · DIHYDROPYRROLE · 2,5-DIHYDROPYRROLE · 3-PYRROLINE · 3-Pyrroline95% · 3-Pyrroline 95% · 3-Pyrroline HCl · 3-Pyrroline,97%
https://huagongshe.com/de/chemical/66059
Identifikatoren & physikalische Daten
| CAS No. | 109-96-6 |
|---|
| Summenformel | C4H7N |
|---|
| Durchschnittliche Molmasse | 69,11 g/mol |
|---|
| Monoisotopische Masse | 69,05784922 g/mol |
|---|
| SMILES | C1=CCNC1 |
|---|
| InChIKey | JVQIKJMSUIMUDI-UHFFFAOYSA-N |
|---|
| PubChem CID | 66059 |
|---|
| ChEBI | CHEBI:20198 |
|---|
| EC No. | 203-723-1 |
|---|
| DTXSID | DTXSID4059380 |
|---|
| Lokaler Name | 3-Pyrrolin |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 0 |
|---|
| Polarare Oberfläche (TPSA) | 12 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 1 |
|---|
| Frei drehbare Bindungen | 0 |
|---|
| Schwere Atome | 5 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 41,6 |
|---|
| SpringerMaterials Properties | Schoenflies notation |
|---|
| Siedepunkt | 90-91 °C/748 mmHg (lit.) |
|---|
| Dichte | 0.91 g/mL at 25 °C (lit.) |
|---|
| Brechungsindex | n20/D 1.46(lit.) |
|---|
| Flammpunkt | −1 °F |
|---|
| Lagerbedingungen | -20°C |
|---|
| Löslichkeit | soluble in Alcohol,Chloroform,Ether.Miscible |
|---|
| Aggregatzustand | clear liquid |
|---|
| pKa (Säurekonstante) | pK1:-0.27(+1) (25°C) |
|---|
| Farbe | Colorless to Light yellow to Light orange |
|---|
| Wichte | 0.902 |
|---|
| Merck | 14,8017 |
|---|
| BRN | 103173 |
|---|
| Henry-Konstante | 4.9×100 mol/(m3Pa) at 25℃, Amoore and Buttery (1978) |
|---|
| InChI | 1S/C4H7N/c1-2-4-5-3-1/h1-2,5H,3-4H2 |
|---|
| InChIKey | JVQIKJMSUIMUDI-UHFFFAOYSA-N |
|---|
| SMILES | C1NCC=C1 |
|---|
| CAS Datenbank | 109-96-6(CAS DataBase Reference) |
|---|
| NIST chemische Informationen | 1H-Pyrrole, 2,5-dihydro-(109-96-6) |
|---|
| EPA chemische Informationen | 1H-Pyrrole, 2,5-dihydro- (109-96-6) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (97.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Flam. Liq. 2 (97.9%) |
|---|
| F | 3-10-19-23 |
|---|
| Wassergefährdungsklasse (WGK) | 3 |
|---|
| TSCA-Inventar-Status | TSCA listed |
|---|
| UN-Transportnummer | UN 2733 3/PG 2 |
|---|
| Zollcode | 29339900 |
|---|
| R-Sätze (R) | 12-20/22-35-34-11 |
|---|
| Gefahrensymbole | F+,C,F,Xi |
|---|
| Sicherheitshinweise (S) | 16-26-36/37/39-45 |
|---|
| Gefahrenklasse | 3Acute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 2Skin Corr. 1A |
|---|
| Verpackungsgruppe | II |
|---|
| Lagerklasse | 3 - Flammable liquids |
|---|
