RARECHEM AL BO 0405
2-chloro-4-fluorobenzoic acid
CAS: 2252-51-9
Molecular Formula: C7H4ClFO2
RARECHEM AL BO 0405 - Names and Identifiers
| Name | 2-chloro-4-fluorobenzoic acid |
| Synonyms | RARECHEM AL BO 0405 TIMTEC-BB SBB003795 1-chloro-2-fluorobezene 2-Chloro-4-Fluorobenzoic 2-chloro-4-fluorobenzoate 2-chloro-4-fluorobenzoic acid 2-CHLORO-4-FLUOROBENZOIC ACID Benzoic acid, 2-chloro-4-fluoro- 2-CHLORO-4-FLUROBENZOIC ACID pure 2-[4-(trifluoromethyl)phenyl]propan-2-ol |
| CAS | 2252-51-9 |
| EINECS | 218-845-0 |
| InChI | InChI=1/C7H4ClFO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H,10,11)/p-1 |
RARECHEM AL BO 0405 - Physico-chemical Properties
| Molecular Formula | C7H4ClFO2 |
| Molar Mass | 174.56 |
| Density | 1.4016 (estimate) |
| Melting Point | 181-183 °C (lit.) |
| Boling Point | 271.9±20.0 °C(Predicted) |
| Flash Point | 118.2°C |
| Solubility | 95% ethanol: soluble50mg/mL, clear to very slightly hazy, colorless to very faintly yellow |
| Vapor Presure | 0.00308mmHg at 25°C |
| Appearance | White powder |
| Color | White |
| BRN | 1946215 |
| pKa | 2.90±0.25(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| MDL | MFCD00010615 |
| Physical and Chemical Properties | White powder. |
| Use | Used in medicine, pesticide, liquid crystal material intermediates |
RARECHEM AL BO 0405 - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R37/38 - Irritating to respiratory system and skin. R41 - Risk of serious damage to eyes R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S37/39 - Wear suitable gloves and eye/face protection S36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
| HS Code | 29163990 |
| Hazard Class | IRRITANT |
RARECHEM AL BO 0405 - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| application | 2-chloro-4-fluorobenzoic acid is an important intermediate of drugs and pesticides. it can also be used in liquid crystal materials with high value and good market prospect. From a physiological level, fluorine-containing drugs have better biological penetration compared with general inorganic drugs, have better selectivity for action with target organs, and usually use a greatly reduced dose. Therefore, fluorine is widely used in the preparation of fluorine-containing pharmaceuticals with special curative effects. 2-chloro-4-fluorobenzoic acid is a carboxylic acid derivative, which can be used as an intermediate in medicine, pesticides, and liquid crystal materials. |
| use | 2-chloro-4-fluorobenzoic acid is a useful synthetic intermediate. It can be used to prepare arylaminopyrazole benzamide as an oral non-steroidal selective glucocorticoid receptor agonist. It can also be used as an arginine vasopressin V2 receptor agonist for the synthesis of (4, 4-difluoro-1, 2,3, 4-tetrahydro-5H-1-benzozehepten-5-ethylenyl) acetamide derivatives. Used as an intermediate in medicine, pesticide, and liquid crystal materials |
| preparation | (1) preparation of N,N-bis (trimethylsilyl) ethoxymethyl -3-chloroaniline 1mol, potassium carbonate 2mol, potassium iodide 0.02mol, ionic liquid 10mol and deionized water 50mol are added to a four-mouth flask, and the reaction liquid is heated to 100 ℃ after dissolution, dropping 2-(trimethylsilyl) ethoxymethyl chloride 0.36mol, after dropping, react for 1h, cool to room temperature, add 3L of ice water while stirring in a 1000 r/min state, cool to 2-3 ℃, continue stirring, precipitate solids, stand still, filter by suction, clean the filter cake with 5 × 100mL of deionized water, and then dry to obtain N,N-bis (trimethylsilyl) ethoxymethyl-3-chloroaniline with 90.5% yield;(2) Preparation of 4-bis (trimethylsilyl) ethoxymethylamino-2-chlorobenzaldehyde Add N,N-bis (trimethylsilyl) ethoxymethyl-3-chloroaniline 0.65mol, ionic liquid 5mol and water dissolved 50mol, and add titanium tetrachloride dropwise, after dropping, the reaction is over for 2h, after the reaction is over, ice-alkali water is poured, stirred, let stand, and filter, the filter cake is cleaned with 5 × 100mL of deionized water, and after drying, 4-bis (trimethylsilyl) ethoxymethylamino-2-chlorobenzaldehyde is obtained, and the yield is 91.2%;(3) Preparation of 4-Amino -2-Chlorobenzoic Acid Add 4-bis (trimethylsilyl) ethoxymethylamino -2-chlorobenzaldehyde 0.3mol, hydrogen peroxide 0.05mol, organic solvent 500mL and triphenylphosphine rhodium chloride 0.01mol to the four-mouth flask, react for 1h, introduce hydrogen at room temperature, then raise the temperature to 50 ℃, react for 5 hours at 5-10 atmospheres, filter after the reaction is over, the filtrate is recovered under reduced pressure to obtain 4-amino -2-chlorobenzoic acid after drying, and the yield is 95.6%;(4) Preparation of 2-Chloro -4-Fluorobenzoic Acid Add 0.3mol of 4-amino -2-chlorobenzoic acid, 3mol of ionic liquid and 50mol of water to a four-mouth flask, heat up to 40 ℃, add 1mol of hydrogen peroxide, react for 2 hours, continue to add 5mol of potassium fluoride and 0.05mol of ammonium phosphate tungsten heteropolyacid, stir for 1h, filter, remove the solvent under reduced pressure, and dry to obtain 2-chloro-4-fluorobenzoic acid with 96.9% yield. |
Last Update：2024-04-09 02:00:07
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