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4-Chlorbenzohydrazid
4-CHLOROBENZOHYDRAZIDE · 4-CHLOROBENZOIC ACID HYDRAZIDE · INHd 15 · NSC 54990 · AKOS 92880 · AKOS BBS-00004505 · TIMTEC-BB SBB003853 · 4-CHLOROBENZHYDRAZIDE
Identifikatoren & physikalische Daten
| CAS No. | 536-40-3 |
|---|---|
| Summenformel | C7H7ClN2O |
| Durchschnittliche Molmasse | 170,59 g/mol |
| Monoisotopische Masse | 170,02469052 g/mol |
| SMILES | NNC(=O)c1ccc(Cl)cc1 |
| InChIKey | PKBGHORNUFQAAW-UHFFFAOYSA-N |
| PubChem CID | 10816 |
| ChEMBL | CHEMBL125812 |
| EC No. | 208-632-0 |
| DTXSID | DTXSID40201817 |
| Lokaler Name | 4-Chlorbenzohydrazid |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 55,1 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 143 |
| LogP (Verteilungskoeffizient) | 1.12 |
| Schmelzpunkt | 162-165 °C (lit.) |
| Siedepunkt | 170.60°C |
| Dichte | 1.323 |
| Brechungsindex | 1.5618 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 12.09±0.10(Predicted) |
| Farbe | White to Almost white |
| BRN | 511154 |
| InChI | InChI=1S/C7H7ClN2O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,9H2,(H,10,11) |
| InChIKey | PKBGHORNUFQAAW-UHFFFAOYSA-N |
| SMILES | C(NN)(=O)C1=CC=C(Cl)C=C1 |
| CAS Datenbank | 536-40-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (97.9%): 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (97.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29280000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Chlorobenzhydrazide has been used in preparation of:rod-shaped mesogenic hydrazide derivatives via Schotten-Baumann reaction with 4-n-alkoxybenzoyl chloride4-methoxybenzaldehyde-4-chlorophenyl-1-carbonyl hydrazone4-hydroxybenzaldehyde-4-chlorophenyl-1-carbonylhydrazone2-nitrobenzaldehyde-4-chlorophenyl-1-carbonylhydrazonebenzaldehyde-4-chlorophenyl-1-carbonylhydrazone