HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Nitrobenzoylchlorid
3-NITROBENZOYL CHLORIDE · m-Nitrobenzoyl chlor · LABOTEST-BB LTBB000612 · m-Nitrobenzoylchroride · 3-nitro-benzoylchlorid · m-nitro-benzoylchlorid · M-NITROBENZOYL CHLORIDE · 1 m-Nitrobenzoyl Chloro
Identifikatoren & physikalische Daten
| CAS No. | 121-90-4 |
|---|---|
| Summenformel | C7H4ClNO3 |
| Durchschnittliche Molmasse | 185,56 g/mol |
| Monoisotopische Masse | 184,98797067 g/mol |
| SMILES | O=C(Cl)c1cccc([N+](=O)[O-])c1 |
| InChIKey | NXTNASSYJUXJDV-UHFFFAOYSA-N |
| PubChem CID | 8495 |
| ChEMBL | CHEMBL1517721 |
| EC No. | 204-505-9 |
| DTXSID | DTXSID9025740 |
| Lokaler Name | 3-Nitrobenzoylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 62,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 201 |
| SpringerMaterials Properties | Boiling point |
| Löslichkeit | Decomposes (NTP, 1992)soluble in Ether,Benzene,Toluene |
| Flammpunkt | greater than 233.6 °F (NTP, 1992)>230 °F |
| Siedepunkt | 527 to 532 °F at 760 mmHg (NTP, 1992)275-278 °C(lit.) |
| Schmelzpunkt | 95 °F (NTP, 1992)31-34 °C(lit.) |
| Dampfdichte | 6.43 (NTP, 1992) - Heavier than airwill sink (Relative to Air) |
| Physical Description | M-nitrobenzoyl chloride is a yellow to brown liquid. Unstable at room temperaturesrequires refrigeration when not in use. |
| Dichte | 1.42 |
| Brechungsindex | 1.5810 (estimate) |
| Aggregatzustand | Low Melting Solid |
| Farbe | Brown |
| Wichte | 1.59 |
| BRN | 777186 |
| InChI | 1S/C7H4ClNO3/c8-7(10)5-2-1-3-6(4-5)9(11)12/h1-4H |
| InChIKey | NXTNASSYJUXJDV-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1cccc(c1)C(Cl)=O |
| CAS Datenbank | 121-90-4(CAS DataBase Reference) |
| NIST chemische Informationen | Benzoyl chloride, 3-nitro-(121-90-4) |
| EPA chemische Informationen | m-Nitrobenzoyl chloride (121-90-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH311 (89.1%): Toxic in contact with skin [Danger Acute toxicity, dermal]P260, P262, P264, P264+P265, P270, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P361+P364, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| DOT-Kennzeichnung | Corrosive |
| Brandgefahren | This chemical is combustible. (NTP, 1992) |
| Gesundheitsgefahren | ACUTE/CHRONIC HAZARDS: This chemical is unstable at room temperature or when exposed to sources of ignition. When heated to decomposition it emits highly toxic fumes. It will react with water or steam to produce toxic and corrosive fumes. (NTP, 1992) |
| Reaktive Gruppe | Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic |
| Reactivity Alerts | Water-Reactive |
| Reactivity Profile | M-NITROBENZOYL CHLORIDE is incompatible with bases (including amines), with strong oxidizing agents, and with alcohols. May react with reducing agents. May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291]. |
| Air and Water Reactions | May be unstable to prolonged exposure to air. Decomposes in water and alcohol. (NTP, 1992). |
| Hazard Classes and Categories | Acute Tox. 3 (89.1%) |
| 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 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 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: |
| Personal Protective Equipment (PPE) | MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves. |
| F | 9-19-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2923 8/PG 3 |
| Zollcode | 29163900 |
| RTECS-Nr. | DM6646000 |
| R-Sätze (R) | 5-21-34-37 |
| Gefahrensymbole | C |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-36/37/39-45-7/9-38 |
| Gefahrenklasse | 8Acute Tox. 4 DermalEye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
Manufacture of dyes for fabrics and color photography, intermediate in preparation of pharmaceuticals.