HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
p-Anisohydrazid
4-METHOXYBENZOHYDRAZIDE · 4-METHOXYBENZHYDRAZIDE · AKOS 92185 · anisichydrazide · p-anisohydrazide · anisoylhydrazine · AKOS BBS-00004504 · P-ANISOYLHYDRAZINE
Identifikatoren & physikalische Daten
| CAS No. | 3290-99-1 |
|---|---|
| Summenformel | C8H10N2O2 |
| Durchschnittliche Molmasse | 166,18 g/mol |
| Monoisotopische Masse | 166,07422756 g/mol |
| SMILES | COc1ccc(C(=O)NN)cc1 |
| InChIKey | REKQLYUAUXYJSZ-UHFFFAOYSA-N |
| PubChem CID | 76792 |
| ChEMBL | CHEMBL1588015 |
| EC No. | 221-952-5 |
| DTXSID | DTXSID60186556 |
| Lokaler Name | p-Anisohydrazid |
Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 64,4 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 153 |
| LogP (Verteilungskoeffizient) | 0.25 |
| Löslichkeit | 24.5 [ug/mL] (The mean of the results at pH 7.4)Slightly soluble in water. |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 136-140 °C(lit.) |
| Siedepunkt | 294.38°C (rough estimate) |
| Dichte | 1.2265 (rough estimate) |
| Brechungsindex | 1.6180 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 12.65±0.10(Predicted) |
| Farbe | White to Orange to Green |
| BRN | 389017 |
| InChI | 1S/C8H10N2O2/c1-12-7-4-2-6(3-5-7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11) |
| InChIKey | REKQLYUAUXYJSZ-UHFFFAOYSA-N |
| SMILES | COc1ccc(cc1)C(=O)NN |
| CAS Datenbank | 3290-99-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 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 | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2928009090 |
| RTECS-Nr. | BZ4800000 |
| R-Sätze (R) | 36/37/38 |
| Toxizität | LD50 ivn-mus: 178 mg/kg CSLNX* NX#00894 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Methoxybenzhydrazide is used as pharmaceutical intermediates and it is also involved in a variety of organic synthesis.