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1,2-Dihydro-5-nitroacenaphthylen
5-Nan · NCI-C01967 · 5-Nitroace · Nitroacenaphthene · 5-Nitroacenapthene · 5-nitro-acenaphthen · 5-Nitroacenaphthene · Acenaphthene, 5-nitro-
Identifikatoren & physikalische Daten
| CAS No. | 602-87-9 |
|---|---|
| Summenformel | C12H9NO2 |
| Durchschnittliche Molmasse | 199,2 g/mol |
| Monoisotopische Masse | 199,06332853 g/mol |
| SMILES | O=[N+]([O-])c1ccc2c3c(cccc13)CC2 |
| InChIKey | CUARLQDWYSRQDF-UHFFFAOYSA-N |
| PubChem CID | 11769 |
| ChEMBL | CHEMBL423081 |
| ChEBI | CHEBI:82350 |
| EC No. | 210-025-0 |
| DTXSID | DTXSID3020960 |
| Lokaler Name | 1,2-Dihydro-5-nitroacenaphthylen |
Chemische & physikalische Eigenschaften
| XLogP | 3,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 273 |
| Stoffklassen | Carcinogens |
| Polymers | Other Classes -> Polycyclic Aromatic Hydrocarbons |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | log Kow = 3.85 |
| Color/Form | Solid |
| Löslichkeit | less than 1 mg/mL at 68 °F (NTP, 1992)Soluble in ethanol, ethyl ether, ligroinSoluble in hot waterIn water, 0.91 mg/L at 25 °CChloroform (Slightly), DMSO (Slightly) |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| Schmelzpunkt | 217 to 219 °F (NTP, 1992)103 °C100-101 °C(lit.) |
| Dampfdruck | 0.0000265 [mmHg] |
| Physical Description | 5-nitroacenaphthene is a yellow powder. (NTP, 1992)Yellow solid[CAMEO] Yellow powder[MSDSonline] |
| Siedepunkt | 279°C |
| Dichte | 1.1919 (rough estimate) |
| Brechungsindex | 1.5880 (estimate) |
| Flammpunkt | 279°C |
| Lagerbedingungen | -20°C Freezer |
| Aggregatzustand | Solid |
| Farbe | Light Yellow to Yellow |
| BRN | 1876864 |
| Henry-Konstante | 9.0×100 mol/(m3Pa) at 25℃, HSDB (2015) |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents. |
| CAS Datenbank | 602-87-9(CAS DataBase Reference) |
| EPA chemische Informationen | 5-Nitroacenaphthene (602-87-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH350: May cause cancer [Danger Carcinogenicity]P203, P280, P318, P405, and P501 (click each P-code to see the statement)H350 (100%): May cause cancer [Danger Carcinogenicity] |
|---|---|
| Regulatorische Informationen | Hazard Traits - CarcinogenicityThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| DOT-Kennzeichnung | Poison |
| Brandgefahren | Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992) |
| Gesundheitsgefahren | ACUTE/CHRONIC HAZARDS: There is clear evidence that this compound is an animal carcinogen. When heated to decomposition it emits toxic fumes of NOx. (NTP, 1992) |
| Gefahrenübersicht | An irritant[MSDSonline] See 1-Nitropyrene. |
| Reaktive Gruppe | Hydrocarbons, Aromatic |
| Special Reports | WHOEnvironmental Health Criteria 229: Selected Nitro- and Nitro-Oxy-Polycyclic Aromatic Hydrocarbons (2003). EHC are designed for scientists and administrators responsible for the establishment of safety standards and regulations and provide basic scientific risk evaluations of a wide range of chemicals and groups of chemicals.[Available from, as of November 18, 2009: http://www.inchem.org/pages/ehc.html]Bioassay of 5-Nitroacenaphthene for Possible Carcinogenicity (1978) Technical Rpt Series No. 118 DHEW Pub No. (NIH) 78-1373, U.S. Department of Health Education and Welfare, National Cancer Institute, Bethesda, MD 20014 |
| Reactivity Profile | Aromatic nitro compounds, such as 5-NITROACENAPHTHENE, range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups. |
Anwendungen & Verwendung
Verwenden
5-Nitroacenaphthene is a derivative of acenaphthene, a polycyclic hydrocarbon that has potential to act as polyploidizing agents in plants.