HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Methyl-4-nitrobenzonitrile
-METHYL-4-NITROBENZO · 4-NITRO-M-TOLUNITRILE · 5-Cyano-2-nitrotoluene · 3-Methyl-4-nitrobenzonitrile · 4-Nitro-3-methylbenzonitrile · Benzonitrile, 3-methyl-4-nitro- · 3-Methyl-4-nitrobenzonitrile 97% · 5-Cyano-2-nitrotoluene, 4-Nitro-m-tolunitrile
Identifikatoren & physikalische Daten
| CAS No. | 96784-54-2 |
|---|---|
| Summenformel | C8H6N2O2 |
| Durchschnittliche Molmasse | 162,15 g/mol |
| Monoisotopische Masse | 162,04292743 g/mol |
| SMILES | Cc1cc(C#N)ccc1[N+](=O)[O-] |
| InChIKey | IHVNKSXTJZNBQA-UHFFFAOYSA-N |
| PubChem CID | 2801434 |
| EC No. | 619-245-5 |
| DTXSID | DTXSID70384248 |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 69,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 225 |
| Schmelzpunkt | 81-83°C |
| Siedepunkt | 322.2±30.0 °C(Predicted) |
| Dichte | 1.26±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Insoluble in water |
| BRN | 2443778 |
| CAS Datenbank | 96784-54-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (16.7%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, 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 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. 4 (83.3%) |
| UN-Transportnummer | 3439 |
| Zollcode | 2926907090 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | T,Xi |
| hazard_note | Toxic |
| Sicherheitshinweise (S) | 26-36/37/39-45-36 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
3-Methyl-4-nitrobenzonitrile is used to produce 4-amino-3-methyl-benzonitrile.