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2-Chlorbenzamid
2-Chlorbenzamid · o-chloro-benzamid · 2-CHLOROBENZAMIDE · 2-chloro-benzamid · O-CHLORO-BENZAMIDE · Benzamide, o-chloro · TIMTEC-BB SBB004023 · Benzamide, 2-chloro-
Identifikatoren & physikalische Daten
| CAS No. | 609-66-5 |
|---|---|
| Summenformel | C7H6ClNO |
| Durchschnittliche Molmasse | 155,58 g/mol |
| Monoisotopische Masse | 155,01379149 g/mol |
| SMILES | NC(=O)c1ccccc1Cl |
| InChIKey | RBGDLYUEXLWQBZ-UHFFFAOYSA-N |
| PubChem CID | 69111 |
| ChEMBL | CHEMBL3561242 |
| EC No. | 210-195-6 |
| DTXSID | DTXSID3052278 |
| Lokaler Name | 2-Chlorbenzamid |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 138 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Pestizide | Environmental transformation -> Pesticide transformation products (metabolite, successor) |
| LogP (Verteilungskoeffizient) | 0.94 |
| Schmelzpunkt | 142-144 °C(lit.) |
| Siedepunkt | 275.0±23.0 °C(Predicted) |
| Dichte | 1.2187 (rough estimate) |
| Brechungsindex | 1.5618 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 15.36±0.50(Predicted) |
| Farbe | White to Almost white |
| BRN | 508510 |
| InChI | 1S/C7H6ClNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10) |
| InChIKey | RBGDLYUEXLWQBZ-UHFFFAOYSA-N |
| SMILES | NC(=O)c1ccccc1Cl |
| CAS Datenbank | 609-66-5(CAS DataBase Reference) |
| EPA chemische Informationen | 2-Chlorobenzamide (609-66-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P320, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzamide, 2-chloro-Commission Regulation No 844/2012PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 03-07-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6240 |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2924297099 |
| RTECS-Nr. | CV2443737 |
| R-Sätze (R) | 22-36/37/38-20/22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 36-37/39-26 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 Oral |
| Lagerklasse | 13 - Non Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Chlorobenzamide is used to synthesize chlortetracycline and o-chlorobenzoyl isocyanate, which is an intermediate in chlortetracycline synthesis.