Name | 2-Chloro-4-nitrobenzoic acid |
Synonyms | NSC 150 RARECHEM AL BO 0521 TIMTEC-BB SBB000403 2-chloro-4-nitrobenzoic 2-chloro-4-nitrobenzoate 2-chloro-4-nitro-benzoicaci 2-Chloro-4-Nitobenzoic Acid 2-Chloro-4-nitrobenzoic acid Benzoicacid,2-chloro-4-nitro- 4-Nitro-6-Chloro Benzoic Acid kyselina2-chloro-4-nitrobenzoova 2-CHLORO-4-NITROBENZOIC ACID FOR SYNTHES |
CAS | 99-60-5 |
EINECS | 202-771-0 |
InChI | InChI=1/C7H4ClNO4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,(H,10,11)/p-1 |
Molecular Formula | C7H4ClNO4 |
Molar Mass | 201.56 |
Density | 1.5719 (rough estimate) |
Melting Point | 136-140°C(lit.) |
Boling Point | 160.5°C (rough estimate) |
Flash Point | 172.8°C |
Water Solubility | 1 g/L (20 ºC) |
Vapor Presure | 7.04E-06mmHg at 25°C |
Appearance | Crystalline Powder |
Color | Light yellow to light green |
BRN | 1912836 |
pKa | pK1: 1.96 (25°C) |
Storage Condition | Sealed in dry,Room Temperature |
Refractive Index | 1.6000 (estimate) |
Physical and Chemical Properties | White or yellowish needle-like or powdery crystals. Melting point 142-143 °c (139-141 °c). Soluble in hot water, alcohol and hot benzene. |
Use | Used as a pharmaceutical intermediate in the manufacture of drug rivanol |
Hazard Symbols | Xi - Irritant |
Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R41 - Risk of serious damage to eyes R37/38 - Irritating to respiratory system and skin. |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
WGK Germany | 3 |
RTECS | DG5425000 |
TSCA | Yes |
HS Code | 29163900 |
EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
Use | an intermediate of the drug rivanol can also be used as a Disinfection preservative. used as a pharmaceutical intermediate for the production of drug rivanol |
production method | p-nitrotoluene is obtained by chlorination and oxidation. Put p-nitrotoluene into the dry reactor, heat and melt, add iron wire and iodine tablets, at 58-62 ℃, enter equal molar amount of chlorine, after washing with hot water, sodium carbonate neutralization, pour into ice water, the crystals were precipitated by stirring, filtered to remove water, and dried in the shade to obtain 2-chloro-4-nitrotoluene. Then add 25 times 1-2% sodium hydroxide solution into 2-chloro-4-nitrotoluene, heat to boiling, slowly add potassium permanganate under intense stirring, keep the temperature at 100±1 ℃, after adding, continue to stir, reflux 30min, cool, separate manganese dioxide. The filtrate was adjusted to pH 1-2 with hydrochloric acid, and the precipitate was washed with ice water, filtered, and dried at 80 °c to obtain the product. The chlorination operation can also be carried out in the presence of ferric chloride, still at 58-62 °c. The total yield of chlorination and oxidation was about 70%. |
category | toxic substances |
stimulation data | eyes-rabbit 0.25 mg/24 h |
flammability hazard characteristics | flammable, combustion decomposition of toxic chloride, nitrogen oxide gas |
storage and transportation characteristics | warehouse low temperature, ventilation, dry |
extinguishing agent | water, carbon dioxide, dry powder, sand |