HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Amino-2,6-Dinitrotoluene
4-Adnt · AKOS B020145 · AKOS BC-0096 · ART-CHEM-BB B020145 · 3,5-dinitro-p-toluidin · 2,4-Dinitro-m-toluidine · 3,5-dinitro-p-toluidine · p-Toluidine, 3,5-dinitro-
Identifikatoren & physikalische Daten
| CAS No. | 19406-51-0 |
|---|---|
| Summenformel | C7H7N3O4 |
| Durchschnittliche Molmasse | 197,15 g/mol |
| Monoisotopische Masse | 197,0436557 g/mol |
| SMILES | Cc1c([N+](=O)[O-])cc(N)cc1[N+](=O)[O-] |
| InChIKey | KQRJATLINVYHEZ-UHFFFAOYSA-N |
| PubChem CID | 29574 |
| ChEBI | CHEBI:77424 |
| EC No. | 621-857-2 |
| DTXSID | DTXSID8074312 |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 118 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 222 |
| Stoffklassen | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
| Dampfdruck | 0.00004 [mmHg] |
| Physical Description | Solid[DOD - USCHPPM] |
| Schmelzpunkt | 171 °C |
| Siedepunkt | 382.6±37.0 °C(Predicted) |
| Dichte | 1.497±0.06 g/cm3(Predicted) |
| Lagerbedingungen | room temp |
| pKa (Säurekonstante) | 0.74±0.10(Predicted) |
| Henry-Konstante | 7.3×103 mol/(m3Pa) at 25℃, Ebert et al. (2023) |
| CAS Datenbank | 19406-51-0(CAS DataBase Reference) |
| EPA chemische Informationen | 4-Amino-2,6-dinitrotoluene (19406-51-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 7.1% (3 of 42) of reports.DangerH301 (92.9%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | Causes excitement and somnolence in oral lethal-dose studies of rats[RTECS] Has been detected in the urine of workers exposed to TNT[EPA - PPRTV] An irritantHarmful by ingestion and inhalationMay induce methemoglobinemia[AccuStandard MSDS] See 2,4,6-Trinitrotoluene and 5-Nitro-2-toluidine. Both chemicals are primary hepatotoxins. |
| Hazard Classes and Categories | Acute Tox. 3 (92.9%) |
| Unerwünschte Wirkungen | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
| RAIS Toxicity Values | 0.0001SCREEN Current0.0003PPRTV Current |
| EPA Provisional Peer-Reviewed Toxicity Values | 4-Amino-2,6-Dinitrotoluene1 x 10^-4 mg/kg-day3 x 10^-4 mg/kg-dayPDF DocumentInadequate information to assess carcinogenic potential2020 |
| Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 | 7.70e+001.10e+021.90e+005.00e+001.50e-031.00e-04 |
| Hazard Quotient Level 3 or Cancer Risk Level 1E-04 | 2.30e+013.40e+025.80e+005.00e+001.00e-04Volatile |
| Wassergefährdungsklasse (WGK) | 3 |
| R-Sätze (R) | 23/24/25-33-51/53 |
| Toxizität | mouse,LD50,oral,1318mg/kg (1318mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),National Technical Information Service. Vol. AD-A080-146, |
| Gefahrensymbole | T,N |
| Sicherheitshinweise (S) | 28-36/37-45-61 |
Anwendungen & Verwendung
Verwenden
4-Methyl-3,5-dinitroaniline is used in preparation and application of phosphorus-containing flame retardants carrying isocyanate groups.