HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Amino-3-nitrobenzonitrile
BUTTPARK 96\04-65 · 4-Cyano-2-nitroaniline · 2-Nitro-4-cyanoaniline · 3-Nitro-4-Aminobenzonitrile · 4-AMINO-3-NITROBENZONITRILE · Benzonitrile, 4-amino-3-nitro- · 4-Amino-3-nitrobenzonitrile >4-Amino-3-nitrobenzonitrile,98% · 4-AMINO-3-NITROBENZONITRILE 98%
Identifikatoren & physikalische Daten
| CAS No. | 6393-40-4 |
|---|---|
| Summenformel | C7H5N3O2 |
| Durchschnittliche Molmasse | 163,13 g/mol |
| Monoisotopische Masse | 163,0381764 g/mol |
| SMILES | N#Cc1ccc(N)c([N+](=O)[O-])c1 |
| InChIKey | JAHADAZIDZMHOP-UHFFFAOYSA-N |
| PubChem CID | 595901 |
| EC No. | 613-403-7 |
| DTXSID | DTXSID00344315 |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 95,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 227 |
| Schmelzpunkt | 159-162 °C (lit.) |
| Siedepunkt | 349.8±32.0 °C(Predicted) |
| Dichte | 1.41±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Soluble in ethanol and benzene. |
| pKa (Säurekonstante) | -3.52±0.10(Predicted) |
| Aggregatzustand | Powder, Crystals or Crystalline Powder |
| Farbe | Yellow |
| BRN | 778939 |
| InChI | InChI=1S/C7H5N3O2/c8-4-5-1-2-6(9)7(3-5)10(11)12/h1-3H,9H2 |
| InChIKey | JAHADAZIDZMHOP-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=C(N)C([N+]([O-])=O)=C1 |
| CAS Datenbank | 6393-40-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (10.9%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (10.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3276 |
| Zollcode | 29269090 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-36/37/39 |
| Gefahrenklasse | 6.1Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Gamma irradiations effect on release of 4-amino-3-nitrobenzonitrile from polyanhydride matrixes.