HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Chlor-2-nitrotoluol
5-CHLORO-2-METHYLNITROBENZENE · 4-chloro-1-methyl-2-nitro-benzene · 4-Chloro-2-nit · oro-2-nitrotoL · Chloro-2-nitrotolu · 4-Chloro-2-nitrotolu · 4-Chlor-2-nitrotoluol · Farnesane Impurity 40
Identifikatoren & physikalische Daten
| CAS No. | 89-59-8 |
|---|---|
| Summenformel | C7H6ClNO2 |
| Durchschnittliche Molmasse | 171,58 g/mol |
| Monoisotopische Masse | 171,00870611 g/mol |
| SMILES | Cc1ccc(Cl)cc1[N+](=O)[O-] |
| InChIKey | SQFLFRQWPBEDHM-UHFFFAOYSA-N |
| PubChem CID | 6975 |
| EC No. | 201-921-2 |
| DTXSID | DTXSID4058994 |
| Lokaler Name | 4-Chlor-2-nitrotoluol |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 157 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| LogP (Verteilungskoeffizient) | 3.05 |
| Schmelzpunkt | 34-38 °C (lit.) |
| Siedepunkt | 239-240 °C/718 mmHg (lit.) |
| Dichte | 1.2559 |
| Brechungsindex | 1.5570 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | powder to lump to clear liquid |
| Farbe | White or Colorless to Yellow |
| Löslichkeit | 109 mg/L (20 ºC) |
| BRN | 2046651 |
| InChI | InChI=1S/C7H6ClNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3 |
| InChIKey | SQFLFRQWPBEDHM-UHFFFAOYSA-N |
| SMILES | C1(C)=CC=C(Cl)C=C1[N+]([O-])=O |
| CAS Datenbank | 89-59-8(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Chloro-2-nitrotoluene(89-59-8) |
| EPA chemische Informationen | Benzene, 4-chloro-1-methyl-2-nitro- (89-59-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (14.6%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, 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. |
|---|---|
| DOT Hazard Classification | 4-Chloro-2-nitrotolueneMarine pollutant |
| Hazard Classes and Categories | Acute Tox. 4 (14.6%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3457 6.1/PG 3 |
| Zollcode | 29049090 |
| R-Sätze (R) | 36/37/38-20/21/22-52/53 |
| Gefahrensymbole | Xi,Xn,N |
| Sicherheitshinweise (S) | 26-36-36/37/39-61 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
4-Chloro-2-nitrotoluene can be used in the synthesis of indigo dye.