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2-Nitro-m-xylol
1,3-DIMETHYL-2-NITROBENZENE · 2-NITRO-M-XYLENE · 2,6-DIMETHYLNITROBENZENE · 2,6-Dimethy Nitrobenzene · nsc9811 · 1.3-DiMeth · 2-nitro-m-xylen · 2-Nitro-m-xylol
Identifikatoren & physikalische Daten
| CAS No. | 81-20-9 |
|---|---|
| Summenformel | C8H9NO2 |
| Durchschnittliche Molmasse | 151,16 g/mol |
| Monoisotopische Masse | 151,06332853 g/mol |
| SMILES | Cc1cccc(C)c1[N+](=O)[O-] |
| InChIKey | HDFQKJQEWGVKCQ-UHFFFAOYSA-N |
| PubChem CID | 6672 |
| ChEMBL | CHEMBL1609131 |
| EC No. | 201-333-6 |
| DTXSID | DTXSID7025134 |
| Lokaler Name | 2-Nitro-m-xylol |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 143 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Dichte | 1.112 at 59 °F (NTP, 1992) - Denser than waterwill sink1.112 @ 15°C1.112 g/mL at 25 °C(lit.) |
| Löslichkeit | less than 1 mg/mL at 66 °F (NTP, 1992)Chloroform (Soluble), Methanol (Slightly)insoluble |
| Flammpunkt | 190 °F (NTP, 1992) |
| Siedepunkt | 437 °F at 744 mmHg (NTP, 1992)226 °C @760 [mm Hg]225 °C744 mm Hg(lit.) |
| Schmelzpunkt | 57 to 61 °F (NTP, 1992)14-16 °C(lit.) |
| Dampfdruck | 28.4 mmHg at 100 °F (NTP, 1992) |
| Physical Description | 1,3-dimethyl-2-nitrobenzene is a clear yellow liquid. (NTP, 1992) |
| Brechungsindex | n20/D 1.521(lit.) |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | liquid |
| Farbe | White or Colorless to Yellow |
| BRN | 2046066 |
| Stabilität | Stable. Incompatible with strong oxidizing agents. |
| InChI | 1S/C8H9NO2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H3 |
| InChIKey | HDFQKJQEWGVKCQ-UHFFFAOYSA-N |
| SMILES | Cc1cccc(C)c1[N+]([O-])=O |
| CAS Datenbank | 81-20-9(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1,3-dimethyl-2-nitro-(81-20-9) |
| EPA chemische Informationen | 2-Nitro-m-xylene (81-20-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 5.9% (3 of 51) of reports.H411 (92.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 reports by companies from 7 notifications to the ECHA C&L Inventory. |
|---|---|
| DOT-Kennzeichnung | Poison |
| Brandgefahren | This chemical is combustible. (NTP, 1992) |
| Gesundheitsgefahren | SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes and mucous membranes. |
| Reaktive Gruppe | Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic |
| Reactivity Profile | 1,3-DIMETHYL-2-NITROBENZENE is incompatible with strong oxidizers and strong bases. |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Aquatic Chronic 2 (92.2%) |
| Brandbekämpfung | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (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 you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol 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. |
Anwendungen & Verwendung
Verwenden
2-Nitro-m-xylene is employed as a pharmaceutical intermediate in organic synthesis. It is also used in the preparation of Direct Violet 7 and solvent Red 26. Further, it is used in the petrochemical industry.