6-Chlor-o-toluidin
6-CHLORO-O-TOLUIDINE · 6-CHLORO-2-METHYLANILINE · 6COT · NSC 60121 · oro-6-methyL · TIMTEC-BB SBB004153 · 6-chloro-o-toluidin · 2-Chloro-6-methylani
Identifikatoren & physikalische Daten
| CAS No. | 87-63-8 |
|---|---|
| Summenformel | C7H8ClN |
| Durchschnittliche Molmasse | 141,6 g/mol |
| Monoisotopische Masse | 141,03452694 g/mol |
| SMILES | Cc1cccc(Cl)c1N |
| InChIKey | WFNLHDJJZSJARK-UHFFFAOYSA-N |
| PubChem CID | 6897 |
| EC No. | 201-759-2 |
| DTXSID | DTXSID8058956 |
| Lokaler Name | 6-Chlor-o-toluidin |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 94,9 |
| SpringerMaterials Properties | Optical coefficient |
| Schmelzpunkt | 10-12 °C(lit.) |
| Siedepunkt | 215 °C(lit.) |
| Dichte | 1.152 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.576(lit.) |
| Flammpunkt | 210 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly)Immiscible |
| Aggregatzustand | Oil |
| pKa (Säurekonstante) | 2.51±0.10(Predicted) |
| Farbe | Clear Colourless to Pale Purple |
| BRN | 774624 |
| InChIKey | WFNLHDJJZSJARK-UHFFFAOYSA-N |
| CAS Datenbank | 87-63-8(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenamine, 2-chloro-6-methyl-(87-63-8) |
| EPA chemische Informationen | 6-Chloro-2-methylaniline (87-63-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (16%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P318, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 50 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | S - indicates a substance that is identified in a final Significant New Use Rule.Status: Active Update: 09-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21012 |
| Hazard Classes and Categories | Acute Tox. 3 (16%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3429 6.1/PG 3 |
| Zollcode | 29214300 |
| RTECS-Nr. | XU5100000 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36-36/37/39 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Beschreibung
2-chloro-6-methylaniline is an important organic synthesis intermediate widely applied to chemical pharmacy, pesticides, and organic synthesis. In the aspects of chemical pharmacy and pesticides, 2-chloro-6-methylaniline can be used as a reaction starting material to participate in the preparation processes of tyrosine kinase inhibitors dasatinib, indazole derivatives with anti-breast cancer activity, 2-methyl-6-chlorophenyl sulfonylurea derivatives with bacteriostatic activity and the like; in the aspect of organic synthesis, 2-chloro-6-methylaniline can introduce chemical groups such as hydrazine, nitro, cyano, halogen (F, Cl, Br), and the like into an aromatic ring through diazotization reaction, thereby participating in wide chemical reactions.
Verwenden
2-Chloro-6-methylaniline is a substituted aniline used in the preparation of various pharmaceutical compounds. 2-Chloro-6-methylaniline showed inhibition of the polymerization of vinyl acetate.