HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-methoxy-3-nitro-N-phenylbenzamide
4-methoxy-3-nitro-n-phenylbenzamide · 3-nitro-p-anisanilid · 3-NITRO-P-ANISANILIDE · p-Anisanilide, 3-nitro. · 4-methoxy-3-nitro-n-phenyl · 3-Nitro-4-methoxybenzanilide · 4-METHOXY-3-NITROBENZANILIDE · 4-methoxy-3-nitro-n-phenyl-benzamid
Identifiers & Physical Properties
| CAS No. | 97-32-5 |
|---|---|
| Molecular formula | C14H12N2O4 |
| Average molar mass | 272.26 g/mol |
| Monoisotopic mass | 272.07970687 g/mol |
| SMILES | COc1ccc(C(=O)Nc2ccccc2)cc1[N+](=O)[O-] |
| InChIKey | YKOCPBMVMBUTAX-UHFFFAOYSA-N |
| PubChem CID | 7331 |
| ChEMBL | CHEMBL1325964 |
| EC No. | 202-572-9 |
| DTXSID | DTXSID7025558 |
Chemical & Physical Properties
| XLogP | 2.6 |
|---|---|
| Topological polar surface area | 84.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 350 |
| Solubility | less than 0.1 mg/mL at 59 °F (NTP, 1992) |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Physical Description | 4-methoxy-3-nitro-n-phenylbenzamide is a light tan solid. (NTP, 1992) |
| Boiling point | 415.31°C (rough estimate) |
| Density | 1.2499 (rough estimate) |
| Vapor pressure | 0.001Pa at 20℃ |
| Refractive index | 1.6180 (estimate) |
| Physical state | Powder |
| LogP (partition coefficient) | 2.69 at 23℃ and pH7.8-7.9 |
| EPA Substance Registry System | 4-Methoxy-3-nitro-N-phenylbenzamide (97-32-5) |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H319 |
| GHS precautionary statements | P264-P280-P305+P351+P338-P337+P313P |
| TSCA inventory status | TSCA listed |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 2.6% (1 of 39) of reports.WarningH319 (97.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatory information | REACH registered substance: 4-methoxy-3-nitro-N-phenylbenzamide (EC: 202-572-9) |
| Fire hazards | This chemical is probably combustible. (NTP, 1992) |
| Reactive group | Amides and Imides |
| Reactivity Profile | A nitrated benzamide. Organic amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx). |
| Air and Water Reactions | This chemical may be sensitive to prolonged exposure to air. (NTP, 1992). Insoluble in water. |
| Hazard Classes and Categories | Eye Irrit. 2 (97.4%) |
| Fire fighting | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| First aid | 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. |
| Nonfire spill response | SMALL SPILLS AND LEAKAGE: You should dampen the solid spill material with acetone, then 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 adsorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
Applications & Uses
General Description
Light tan solid.