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2-Nitro-N-phenylanilin
2-NITRO-N-PHENYLANILINE · Nitrodiphenylamine · O-NITRO DIPHENYLAMINE · NSC 4754 · NSC 629274 · NSC 105613 · c.i. 10335 · Sudan Yellow 1339
Identifikatoren & physikalische Daten
| CAS No. | 119-75-5 |
|---|---|
| Summenformel | C12H10N2O2 |
| Durchschnittliche Molmasse | 214,22 g/mol |
| Monoisotopische Masse | 214,07422756 g/mol |
| SMILES | O=[N+]([O-])c1ccccc1Nc1ccccc1 |
| InChIKey | RUKISNQKOIKZGT-UHFFFAOYSA-N |
| PubChem CID | 8407 |
| ChEMBL | CHEMBL1450018 |
| EC No. | 204-348-6 |
| DTXSID | DTXSID4025749 |
| Lokaler Name | 2-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 | 234 |
| Stoffklassen | Nitrogen Compounds -> Nitroanilines |
| SpringerMaterials Properties | Boiling point |
| Dichte | 1.36 @25 °C |
| Löslichkeit | less than 1 mg/mL at 72 °F (NTP, 1992)1.1 [ug/mL] (The mean of the results at pH 7.4)Chloroform (Slightly), , DMSO (Slightly), Methanol (Slightly, Sonicated)negligible |
| Schmelzpunkt | 167.9 °F (NTP, 1992)75.5 °C74-76 °C(lit.) |
| Physical Description | 2-nitrodiphenylamine appears as red-brown crystalline powder or reddish-brown solid. (NTP, 1992)CBILiquidOrange solid[Reference #1] Reddish-brown solid[CAMEO] Red or orange crystalline solid[Alfa Aesar MSDS] |
| Siedepunkt | 346 °C |
| Dampfdichte | 10.7 (vs air) |
| Brechungsindex | 1.6660 (estimate) |
| Flammpunkt | 346°C |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | -3.39±0.20(Predicted) |
| Farbe | Red |
| BRN | 2213591 |
| InChIKey | RUKISNQKOIKZGT-UHFFFAOYSA-N |
| CAS Datenbank | 119-75-5(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenamine, 2-nitro-N-phenyl-(119-75-5) |
| EPA chemische Informationen | 2-Nitrodiphenylamine (119-75-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 60 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenamine, 2-nitro-N-phenyl-Benzenamine, 2-nitro-N-phenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenamine, 2-nitro-N-phenyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Benzenamine, 2-nitro-N-phenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| DOT-Kennzeichnung | Poison |
| Brandgefahren | Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992) |
| Gesundheitsgefahren | SYMPTOMS: Symptoms of exposure to this chemical include irritation of the skin, eyes, mucous membranes and upper respiratory tract. Structurally similar chemicals may cause methemoglobinemia. |
| Gefahrenübersicht | A skin, eye, mucous membrane, and upper respiratory tract irritantMay cause methemoglobinemia, based on structurally similar compounds[NTP] A skin and strong eye irritant[Alfa Aesar MSDS] See Otto fuel. |
| Reaktive Gruppe | Amines, Phosphines, and Pyridines |
| Reactivity Profile | 2-NITRODIPHENYLAMINE is incompatible with strong oxidizers, strong acids and strong bases. (NTP, 1992) |
| Air and Water Reactions | This chemical may be sensitive to prolonged exposure to air. Insoluble in water. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Brandbekämpfung | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (NTP, 1992) |
| Erste Hilfe | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| Freisetung ohne Brand | SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Isolation and Evacuation | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| Protective Action Criteria (PAC) | 12 [mg/m3]130 [mg/m3]790 [mg/m3] |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
| Unerwünschte Wirkungen | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| EPA Provisional Peer-Reviewed Toxicity Values | 2-NitrodiphenylaminePDF Document2011 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29214400 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-37/39 |
Anwendungen & Verwendung
Verwenden
(2-Nitrophenyl)phenylamine (cas# 119-75-5) is a compound useful in organic synthesis.
Verwenden
2-Nitrodiphenylamine is used to control the combustion of propylene glycol dinitrate in Otto fuel II (US navy propellant for torpedoes and other weapons systems); Also used as a solvent dye; Used as stabilizer for nitroglycerin and as a chemical intermediate