HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Chlor-3-nitrotoluol
2-chloro-1-methyl-3-nitrobenzene · 2-Chloro-3-nit · 2-CHLORO-3-NITROTOLU · 2-Cloro-3-nitrotoluene · 2-Chloro-3-nitrotolune · 2-CHLORO-3-NITROTOLUENE · 3-Nitro 2-Chloro toluene · 2-CHLORO-3-NITROTOLUENE 98%
Identifikatoren & physikalische Daten
| CAS No. | 3970-40-9 |
|---|---|
| Summenformel | C7H6ClNO2 |
| Durchschnittliche Molmasse | 171,58 g/mol |
| Monoisotopische Masse | 171,00870611 g/mol |
| SMILES | Cc1cccc([N+](=O)[O-])c1Cl |
| InChIKey | XTSGZXRUCAWXKY-UHFFFAOYSA-N |
| PubChem CID | 77591 |
| EC No. | 223-591-9 |
| DTXSID | DTXSID90192786 |
| Lokaler Name | 2-Chlor-3-nitrotoluol |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 157 |
| Schmelzpunkt | 21 °C (lit.) |
| Siedepunkt | 147 °C/25 mmHg (lit.) |
| Dichte | 1.298 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.557(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to lump to clear liquid |
| Farbe | White or Colorless to Yellow |
| InChI | InChI=1S/C7H6ClNO2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,1H3 |
| InChIKey | XTSGZXRUCAWXKY-UHFFFAOYSA-N |
| SMILES | C1(C)=CC=CC([N+]([O-])=O)=C1Cl |
| CAS Datenbank | 3970-40-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (95.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2433 6.1/PG 3 |
| Zollcode | 29049090 |
| R-Sätze (R) | 22-50 |
| Gefahrensymbole | Xn,N |
| Sicherheitshinweise (S) | 61 |
| Gefahrenklasse | 6.1Acute Tox. 4 OralAquatic Acute 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
2-Chloro-3-nitrotoluene is an aryl halide that can be transformed into arenethiols by reacting with sodium sulphide, sodium hydrogen sulphide or disodium disulphide.