Name | 4-Nitrobenzoic acid |
Synonyms | 4-nitrodracylicacid 4-Nitrobenzoic acid Benzoicacid,4-nitro- acide4-nitrobenzoique Benzoic acid, p-nitro- Para nitro Benzoic acid kyselinap-nitrobenzoova PARA NITRO-BENZOIC ACID Kyselina p-nitrobenzoova Benzocaine EP Impurity E kyselinap-nitrobenzoova(czech) |
CAS | 62-23-7 |
EINECS | 200-526-2 |
InChI | InChI=1/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)/p-1 |
Molecular Formula | C7H5NO4 |
Molar Mass | 167.12 |
Density | 1.61 |
Melting Point | 239-242℃ |
Boling Point | 359.1°C at 760 mmHg |
Flash Point | 166.5°C |
Water Solubility | <0.1 g/100 mL at 26℃ |
Vapor Presure | 8.78E-06mmHg at 25°C |
Appearance | White crystal |
Storage Condition | Room Temprature |
Sensitive | Easily absorbing moisture |
Refractive Index | 1.6280 (estimate) |
MDL | MFCD00007352 |
Physical and Chemical Properties | trait white or light yellow medium crystalline, odorless. |
Use | It is used as a pharmaceutical intermediate and a raw material for the production of dyes. |
Hazard Symbols | Xn - Harmful |
Risk Codes | R22 - Harmful if swallowed |
Safety Description | S24/25 - Avoid contact with skin and eyes. |
Raw Materials | Sodium dichromate dihydrate 4-Nitrotoluene Chloramphenicol 2-Amino-1-(4-nitrophenyl)-1,3-propanediol |
Downstream Products | 4-Aminobenzamide 4-Aminobenzoic acid Procaine hydrochloride |
yellow-white crystals. The relative density was 1. 610. The melting point was 239-241 °c. Flammable. Soluble in ethanol, ether, chloroform, acetone, boiling water, benzene-soluble, carbon disulfide, insoluble in petroleum ether. Can sublimate.
p-nitrobenzoic acid is produced by oxidizing p-nitrotoluene with sodium dichromate at 55 ° C. In the presence of sulfuric acid. The reaction solution was filtered, centrifuged and dehydrated, washed with water and dried to obtain a finished product.
for the preparation of various anesthetics (procaine hydrochloride) and dye intermediates, and can be prepared filter agent.
melting point | 237-240 °C(lit.) |
boiling point | 295.67°C (rough estimate) |
density | 1.61 |
refractive index | 1.6280 (estimate) |
flash point | 237 °C |
storage conditions | Store below 30°C. |
solubility | 0.42g/l |
morphology | Crystalline Powder |
acidity coefficient (pKa) | 3.41(at 25℃) |
color | Light yellow |
PH value | 3.1 (0.42g/l, H2O, 20℃)(saturated solution) |
water solubility | <0.1 g/100 mL at 26 °C |
Merck | 14,6589 |
Solvent | Ethanol |
Specific Activity | 50-60 mCi/mmol |
Concentration | 0.1 mCi/ml |
BRN | 973593 |
stability | Stable. Combustible. Incompatible with strong oxidizing agents, cyanides, strong bases. |
InChIKey | OTLNPYWUJOZPPA-UHFFFAOYSA-N |
NIST chemical information | Benzoic acid, 4-nitro-(62-23-7) |
EPA chemical information | p-Nitrobenzoic acid (62-23-7) |
SigmaAldrich | English |
ACROS | English |
ALFA | Chinese |
ALFA | English |
dangerous goods mark | Xn |
hazard category code | 22-41-36 |
safety instructions | 26-39-24/25 |
WGK Germany | 1 |
RTECS number | DH5075000 |
TSCA | Yes |
customs code | 29163900 |
toxic substance data | 62-23-7(Hazardous Substances Data) |
Toxicity | LD50 orally in Rabbit: 1960 mg/kg |
chemical properties
yellow-white crystals. Soluble in ethanol, ether, chloroform, acetone, boiling water, slightly soluble in benzene, carbon disulfide, insoluble in petroleum ether.
use
1. Used as a chemical reagent
2. Used as a pharmaceutical intermediate and a raw material for the production of dyes
3. this product is an intermediate for organic synthesis of medicines, dyes, veterinary drugs, photosensitive materials, etc. Used for the production of procaine hydrochloride, procainamide hydrochloride, p-aminomethylbenzoic acid, folic acid, benzocaine, anti-cough, cephalosporin V, p-aminobenzoylglutamic acid, Benil, and the production of reactive brilliant red M-8B, reactive red-violet X-2R, filter, color film color former, metal surface rust remover, sunscreen, etc.
4. It is used to make anesthetic procaine hydrochloride and dye intermediates, as well as filter. It can also be used in the production of photosensitive materials, the production of photosensitive materials and the electric paste in capacitors.
5. It is used to synthesize procaine, procainamide, p-aminobenzoic acid, folic acid, etc. It is also widely used to synthesize pesticides and fuels.
6. check alkaloids and calibrate standard alkali solution.
production method
It is obtained by oxidation of p-nitrotoluene. The oxidant can be sodium dichromate, air, manganese ore powder, nitric acid, etc. Using p-nitrotoluene as raw material, in the presence of sulfuric acid, the oxidation reaction is carried out with sodium dichromate at 55 ℃ to generate p-nitrobenzoic acid. The reaction liquid is filtered, centrifuged and dehydrated, washed and dried to obtain the finished product. In addition, it is easy to oxidize with nitric acid to obtain p-nitrobenzoic acid by using 1-p-nitrophenyl -2-amino -1, 3-propanediol in the production of chloramphenicol.