HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Nitro-m-toluidin
NSC 17041 · 4-NITRO-M-TOLUIDINE · 5-AMINO-2-NITROTOLUENE · 3-Amino-6-nitrotoluene · 6-Nitro-3-aMinotoluene · 4-nitro-3-methylaniline · 3-METHYL-4-NITROANILINE · 3-Mehtyl-4-nitroaniline
Identifikatoren & physikalische Daten
| CAS No. | 611-05-2 |
|---|---|
| Summenformel | C7H8N2O2 |
| Durchschnittliche Molmasse | 152,15 g/mol |
| Monoisotopische Masse | 152,0585775 g/mol |
| SMILES | Cc1cc(N)ccc1[N+](=O)[O-] |
| InChIKey | XPAYEWBTLKOEDA-UHFFFAOYSA-N |
| PubChem CID | 11898 |
| EC No. | 210-247-8 |
| DTXSID | DTXSID80209973 |
| Lokaler Name | 4-Nitro-m-toluidin |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 71,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 155 |
| Schmelzpunkt | 136-137°C |
| Siedepunkt | 330.0±22.0 °C(Predicted) |
| Dichte | 1.269±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Methanol |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 1.12±0.10(Predicted) |
| Farbe | Brown Crystalline |
| BRN | 2209112 |
| CAS Datenbank | 611-05-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| UN-Transportnummer | 2660 |
| Zollcode | 2921420090 |
| R-Sätze (R) | 23/24/25-33-51/53 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 28-36/37-45-61 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
3-Methyl-4-nitrobenzeneamine (cas# 611-05-2) is a compound useful in organic synthesis.