Basic introduction Chinese name: p-nitrobenzaldehyde English name:? P-nitrobenzaldehyde chemical formula: C7H5NO3 molecular weight: 15 1. 12 CAS registration number: 555- 16-8 EINECS registration number: 209-084-5 melting point:103-6544. C (literature. ) Water solubility: insoluble in water Density: 1 496 g/cm3 Basic information, physical and chemical properties, preparation method, use, safety information, emergency treatment, storage precautions, numbering system, physical data, ecological data, molecular structure data, computational chemical data, basic information chemistry Chinese name: p- nitrobenzaldehyde Chemical English name: p-nitrobenzaldehyde English name 2: : 555- 16-8 molecular formula: C7H5NO3 molecular weight: 15 1. 12 physical and chemical properties Appearance: white or yellowish crystals. Melting point (℃): 106- 107 (sublimation) Relative density 1.496 Solubility: insoluble in water, slightly soluble in ether, easily soluble in ethanol, benzene and glacial acetic acid. It is difficult to evaporate with steam. The preparation method takes p-nitrotoluene and acetic anhydride as raw materials, and is obtained by oxidation and hydrolysis.
Benzyl acetate was synthesized from benzyl alcohol by esterification, and then p-nitrobenzaldehyde was synthesized by nitration, hydrolysis and oxidation. Niobium pentoxide, a solid superacid, was used as a catalyst for selective nitration of benzyl acetate. Under the optimized conditions (temperature 0 ~10℃, time 0.5 h, n (benzyl acetate): n (Nb2O5): n (nitric acid): n (sulfuric acid) = 1: 0.03: 655.
Usage: 1. Commonly used in pharmaceutical industry to synthesize thioacetazolamide, nitrobenzene methyl vinyl ketone, trimethoprim (TMP) and acetamide phenylhydrazone (INHA- 17). 2. Used as analytical reagent, such as testing aromatic primary amines. Safety information Acute toxicity: LD50: 3880 mg/kg (taken orally by rats) Health hazard: This product has * * * effects on eyes and mucous membranes. Explosion hazard: this product is flammable and has the nature of * * *. Skin contact: Take off contaminated clothes and rinse with running water. Eye contact: Lift eyelids and rinse with running water or normal saline. See a doctor. Inhalation: Leave the site and go to a place with fresh air. If you have difficulty breathing, give oxygen. See a doctor. Intake: Drink enough warm water to induce vomiting. See a doctor. Hazard characteristics: flammable in case of open fire and high heat. Powder and air can form an explosive mixture. When it reaches a certain concentration, it will explode when it meets Mars. Decomposition at high temperature releases corrosive smoke. Harmful combustion products: carbon monoxide, carbon dioxide and nitrogen oxides. Fire extinguishing method: Firefighters must wear gas masks and full-body fire protection suits to extinguish the fire in the upwind direction. Extinguishing agent: atomized water, foam, dry powder, carbon dioxide, sand. Prohibited compounds: strong oxidizing agent, strong alkali and strong reducing agent. Safety terms: Avoid contact with skin and eyes. Risk terms: * * Eyes, respiratory system and skin. Emergency treatment should isolate leakage and pollution areas and restrict access. Cut off the fire. It is recommended that emergency personnel wear dust masks (full face masks) and protective clothing. Collect it in a dry, clean and covered container with a clean shovel and transfer it to a safe place. If there is a large amount of leakage, collect and recycle it or transport it to the waste disposal site for treatment. Storage precautions are stored in a cool and ventilated warehouse. Stay away from fire and heat sources. Should be stored separately from oxidant, reductant and alkali, and should not be mixed. Equipped with corresponding varieties and quantities of fire fighting equipment. The storage area should be equipped with suitable materials to control leakage. Numeric system number. :555- 16-8 MDLNo:MFCD 0007346 einecsNo。 : 209-084-5 rtecNo.: CU7350000 BRNNo:386796 PublicationNo.: 24886452 Physical property data I. Physical property data 1, property 2. Melting point: 105- 108℃. 3. Relative density: 1.496. 4. Solubility: Soluble in ethanol, benzene and acetic acid, slightly soluble in water and ether. Ecological data III. Ecological data: 1. Other harmful effects: this substance may be harmful to the environment, so pay special attention to water bodies. Molecular structure data V. Molecular property data: 1, molar refractive index: 39.55 2, molar volume (cm3/mol): 1 12.93, isotonic specific volume (90.2k): 307.84, surface tension (dyne/cm):. Polarity (10-24cm3): 15.67 Computational chemical data 1. Reference value of hydrophobic parameter calculation (XLOGP): No.2. Number of hydrogen bond donors: 0 3. Number of hydrogen bond acceptors: 3 4. Number of rotatable chemical bonds:15. Number of tautomers: 1. +0 1 8. Surface charge: 0 9. Complexity: 15 10. Isotope atomic number: 0 1 1. The determined number of atomic solid centers: 0 12. Number of solid centers of indefinite atoms: 0 13.