HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Hydrazinobenzoesure
4-hydrazineylbenzoic acid · 4-HYDRAZINOBENZOIC ACID · P-HYDRAZINOBENZOIC ACID · P-CARBOXYPHENYLHYDRAZINE · AKOS BBS-00006727 · P-carboxyl hydrazine · Delarox EP Impurity F · p-hydrazino-benzoicaci
Identifikatoren & physikalische Daten
| CAS No. | 619-67-0 |
|---|---|
| Summenformel | C7H8N2O2 |
| Durchschnittliche Molmasse | 152,15 g/mol |
| Monoisotopische Masse | 152,0585775 g/mol |
| SMILES | NNc1ccc(C(=O)O)cc1 |
| InChIKey | PCNFLKVWBDNNOW-UHFFFAOYSA-N |
| PubChem CID | 12089 |
| ChEMBL | CHEMBL3189010 |
| EC No. | 210-609-5 |
| DTXSID | DTXSID3020708 |
| Lokaler Name | 4-Hydrazinobenzoesure |
Chemische & physikalische Eigenschaften
| XLogP | -0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 75,4 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 141 |
| Schmelzpunkt | 218 °C (dec.) (lit.) |
| Siedepunkt | 274.61°C (rough estimate) |
| Dichte | 1.2804 (rough estimate) |
| Brechungsindex | 1.5200 (estimate) |
| Flammpunkt | >110° |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly, Heated) |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 4.14±0.10(Predicted) |
| Farbe | Light yellow to light brown |
| BRN | 387378 |
| Stabilität | Stable. Combustible. Incompatible with strong acids, strong oxidizing agents. |
| InChI | InChI=1S/C7H8N2O2/c8-9-6-3-1-5(2-4-6)7(10)11/h1-4,9H,8H2,(H,10,11) |
| InChIKey | PCNFLKVWBDNNOW-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=C(NN)C=C1 |
| CAS Datenbank | 619-67-0(CAS DataBase Reference) |
| EPA chemische Informationen | Benzoic acid, 4-hydrazino- (619-67-0) |
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 63 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 22-01-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16877 |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29280000 |
| RTECS-Nr. | DH1700000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
4-Hydrazinobenzoic acid was used in the synthesis of multi-substituted dihydropyrano[2,3-c]pyrazole derivatives.