HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Nitro-N-phenylanilin
4-ndpa · NSC 33836 · 4-Nitrodifenylamin · TIMTEC-BB SBB008055 · P-NITRODIPHENYLAMINE · 4-NITRODIPHENYLAMINE · 4-nitro-diphenylamin · Glycerol Impurity 77
Identifikatoren & physikalische Daten
| CAS No. | 836-30-6 |
|---|---|
| Summenformel | C12H10N2O2 |
| Durchschnittliche Molmasse | 214,22 g/mol |
| Monoisotopische Masse | 214,07422756 g/mol |
| SMILES | O=[N+]([O-])c1ccc(Nc2ccccc2)cc1 |
| InChIKey | XXYMSQQCBUKFHE-UHFFFAOYSA-N |
| PubChem CID | 13271 |
| ChEMBL | CHEMBL1323785 |
| EC No. | 212-646-2 |
| DTXSID | DTXSID8027323 |
| Lokaler Name | 4-Nitro-N-phenylanilin |
Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 57,9 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 226 |
| Stoffklassen | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | 3.823.74 |
| Color/Form | YELLOW NEEDLES OR TABLETS FROM CARBON TETRACHLORIDE |
| Löslichkeit | INSOL IN WATERVERY SOL IN ALCOHOL, ACETIC ACIDSOL IN CONCN SULFURIC ACIDSolubility in water: noneDMSO (Slightly), Methanol (Slightly)INSOLUBLE |
| Flammpunkt | 190 °C190 °C o.c.190°C |
| Siedepunkt | 211 °C AT 30 MM HG343 °C211 °C (30 mmHg) |
| Schmelzpunkt | 133.5 °C132-135 °C132-135 °C (lit.) |
| Dampfdruck | 0.0000166 [mmHg]Vapor pressure at 25 °C: negligible |
| Physical Description | Yellow solid[ICSC] Darkens upon exposure to light[CHEMINFO] Yellow crystalline powder[Alfa Aesar MSDS]YELLOW NEEDLES. |
| Other Experimental Properties | VIOLET COLOR IN SULFURIC ACID |
| Dichte | 1.2042 (rough estimate) |
| Brechungsindex | 1.6660 (estimate) |
| Lagerbedingungen | Refrigerator |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | -2.60±0.20(Predicted) |
| Farbe | Orange to Brown |
| BRN | 2051910 |
| Henry-Konstante | 2.4×103 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| InChI | 1S/C12H10N2O2/c15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H |
| InChIKey | XXYMSQQCBUKFHE-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1ccc(Nc2ccccc2)cc1 |
| CAS Datenbank | 836-30-6(CAS DataBase Reference) |
| NIST chemische Informationen | N-(4-Nitrophenyl)-N-phenylamine(836-30-6) |
| EPA chemische Informationen | 4-Nitrodiphenylamine (836-30-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 3.6% (3 of 83) of reports.WarningH315 (91.6%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 83 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Danger |
|---|---|
| Regulatorische Informationen | Chemical: Benzenamine, 4-nitro-N-phenyl- |
| Brandgefahren | Combustible. Gives off irritating or toxic fumes (or gases) in a fire. |
| Gefahrenübersicht | Can induce methemoglobinemia[ICSC] Emergency treatment: Methemoglobinemia[HSDB] An irritant[Alfa Aesar MSDS] |
| UN-Einstufung | UN Hazard Class: 4.1UN Pack Group: III |
| Chemical Dangers | Decomposes on heating and on burning. This produces toxic fumes of nitrogen oxides. Reacts with strong oxidants. |
| Hazard Classes and Categories | Skin Irrit. 2 (91.6%)Specific target organ toxicity - Repeated exposure - Category 1 (blood system), Category 2 (kidney) |
| Brandbekämpfung | Use water spray, powder, foam, carbon dioxide. |
| Erste-Hilfe-Maßnahmen | Fresh air, rest. Refer for medical attention.Remove contaminated clothes. Rinse skin with plenty of water or shower.First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. Refer for medical attention . |
| Sichere Lagerung | Separated from strong oxidants and strong bases. Cool. Dry. |
| Verschüttetes entsorgen | Personal protection: self-contained breathing apparatus. Do NOT let this chemical enter the environment. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations. |
| Eye Prevention | Wear safety goggles or eye protection in combination with breathing protection. |
| Fire Prevention | NO open flames. |
| Inhalation Risk | Evaporation at 20 °C is negligiblea harmful concentration of airborne particles can, however, be reached quickly when dispersed. |
| Skin Prevention | Protective gloves. |
| Exposure Prevention | PREVENT DISPERSION OF DUST! |
| Ingestion Prevention | Do not eat, drink, or smoke during work. |
| Inhalation Prevention | Use local exhaust or breathing protection. |
| Effects of Short Term Exposure | The substance may cause effects on the blood. This may result in the formation of methaemoglobin. Medical observation is indicated. The effects may be delayed. |
| Unerwünschte Wirkungen | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| Expositionspfade | The substance can be absorbed into the body by inhalation and by ingestion. |
| Signs and Symptoms | Blue lips, fingernails and skin. Dizziness. Headache. Confusion. Convulsions. Nausea. Unconsciousness.See Inhalation. |
| ICSC Environmental Data | The substance is very toxic to aquatic organisms. It is strongly advised not to let the chemical enter into the environment. The substance may cause long-term effects in the aquatic environment. |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3077 |
| Zollcode | 29214400 |
| RTECS-Nr. | JJ9600000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-37/39-36 |
| Gefahrenklasse | 9Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrstoffdaten | 836-30-6(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
4-Nitrodiphenylamine was used to study reduction of nitrated diphenylamine derivatives in sediment water batch enrichments and dense cell suspensions of anaerobic, aromatic-compound-mineralizing pure bacterial cultures.