HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Butyraldehyde 2,4-Dinitrophenylhydrazone
Butanal-DNPH · Butyraldehyde-DNPH · N-BUTYRALDEHYDE-DNPH · butyraldehyde-2,4-dnph · butanal-DNPH as butanal · Adipic Acid Impurity 28 · N-BUTYRALDEHYDE-2,4-DNPH · Butyraldehyde-DNPH solution
Identifikatoren & physikalische Daten
| CAS No. | 1527-98-6 |
|---|---|
| Summenformel | C10H12N4O4 |
| Durchschnittliche Molmasse | 252,23 g/mol |
| Monoisotopische Masse | 252,08585488 g/mol |
| SMILES | CCCC=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] |
| InChIKey | IKGRHEWIFBFXPP-UHFFFAOYSA-N |
| PubChem CID | 346089 |
| EC No. | 625-638-2 |
| DTXSID | DTXSID60323500 |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 116 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 323 |
| Schmelzpunkt | 117-119 °C(lit.) |
| Siedepunkt | 401.8±45.0 °C(Predicted) |
| Dichte | 1.36±0.1 g/cm3(Predicted) |
| Flammpunkt | 2℃ |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO, Methanol (Sparingly) |
| pKa (Säurekonstante) | 12.29±0.10(Predicted) |
| Farbe | Pale Yellow to Light Brown |
| Stabilität | Hygrscopic |
| Hauptanwendungen | environmental |
| InChI | 1S/C10H12N4O4/c1-2-3-6-11-12-9-5-4-8(13(15)16)7-10(9)14(17)18/h4-7,12H,2-3H2,1H3/b11-6+ |
| InChIKey | IKGRHEWIFBFXPP-IZZDOVSWSA-N |
| SMILES | CCC/C=N/NC1=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C1 |
| CAS Datenbank | 1527-98-6 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH228 (33.3%): Flammable solid [Danger Flammable solids]P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Sol. 2 (33.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1648 3/PG 2 |
| Zollcode | 2928.00.5000 |
| R-Sätze (R) | 36/37/38-36-20/21/22-11 |
| Gefahrensymbole | Xi,Xn,F |
| Sicherheitshinweise (S) | 26-36/37-16 |
| Gefahrenklasse | 4.1Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Butyraldehyde 2,4-Dinitrophenylhydrazone is a dinitrophenylhydrazone (DNPH) derivative of an aliphatic aldehyde found in mainstream cigarette smoke.