4-Chlorobenzoic acid
4-Chlorobenzoic acid
CAS: 74-11-3
Molecular Formula: C7H5ClO2
4-Chlorobenzoic acid - Names and Identifiers
| Name | 4-Chlorobenzoic acid |
| Synonyms | PCBA AKOS 92635 4-chlorobenzoate AKOS BBS-00003713 p-Chlorbenzoic acid RARECHEM AL BO 0054 4-Chlorobenzoic acid P-Chlorobenzoic Acid 4-chlorobenzoic aicd Indomethacin USP RC B Para-chlorobenzoic Acid Indomethacin EP Impurity A Indometacin EP Impurity A |
| CAS | 74-11-3 |
| EINECS | 200-805-9 |
| InChI | InChI=1/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)/p-1 |
| InChIKey | XRHGYUZYPHTUJZ-UHFFFAOYSA-N |
4-Chlorobenzoic acid - Physico-chemical Properties
| Molecular Formula | C7H5ClO2 |
| Molar Mass | 156.57 |
| Density | 1.540 |
| Melting Point | 238-241°C(lit.) |
| Boling Point | 274-276 °C |
| Flash Point | 238 °C |
| Water Solubility | soluble in hot water |
| Solubility | Soluble in methanol, anhydrous ethanol and ether, insoluble in water, 95% ethanol and toluene |
| Vapor Presure | 0.00117mmHg at 25°C |
| Appearance | White solid |
| Color | White to yellow |
| Maximum wavelength(λmax) | ['284nm(EtOH)(lit.)'] |
| Merck | 14,2125 |
| BRN | 907196 |
| pKa | 3.98(at 25℃) |
| PH | 4.3 (0.08g/l, H2O, 20℃) |
| Storage Condition | room temp |
| Stability | Stable. Combustible. Incompatible with bases, strong oxidizing agents. |
| Sensitive | Easily absorbing moisture |
| Refractive Index | 1.5812 (estimate) |
| MDL | MFCD00002531 |
| Physical and Chemical Properties | Melting point 240-243°C boiling point 274-276°C (subl.) flash point 238°C water-soluble solution in hot water |
| Use | For pharmaceuticals, pesticides and dyes and intermediates in organic synthesis |
4-Chlorobenzoic acid - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R22 - Harmful if swallowed 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 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection |
| WGK Germany | 2 |
| RTECS | DG4976010 |
| TSCA | Yes |
| HS Code | 29163900 |
| Toxicity | LD50 orally in Rabbit: 1170 mg/kg |
4-Chlorobenzoic acid - Upstream Downstream Industry
| Downstream Products | bumetanide |
4-Chlorobenzoic acid - Introduction
. Median lethal dose (rat, abdominal cavity) 1000mg/kg. It's irritating.
Last Update：2022-10-16 17:28:14
4-Chlorobenzoic acid - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | p-chlorobenzoic acid is an intermediate of the fungicide dimethomorph, the rodenticide, the rodenticide, it is also an intermediate for dyes and pharmaceuticals. used as pharmaceuticals, pesticides and dyes and organic synthesis intermediates used in organic synthesis of dyes, pesticides, pharmaceutical intermediates. organic microanalysis of standard samples for the determination of carbon, hydrogen and chlorine. |
| production method | obtained by oxidation of p-chlorotoluene: a potassium permanganate solution is added in portions to a mixture of p-chlorotoluene and water. The reaction was refluxed for 5-6h under stirring, acidified to pH 2 with hydrochloric acid, filtered to obtain a crude product, and recrystallized from ethanol to obtain a finished product. The preparation method is to add the potassium permanganate solution to the mixture of p-chlorotoluene and water, reflux for 5~6h under stirring at 75~90 ℃, and acidify with hydrochloric acid to pH = 2 after reaction, the crude product was filtered and recrystallized from ethanol to obtain the finished product. |
| category | toxic substances |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 1170 mg/kg; Oral-mouse LD50: 1170 mg/kg |
| flammability hazard characteristics | toxic chloride fumes from thermal decomposition |
| storage and transportation characteristics | low temperature ventilation and drying |
| extinguishing agent | water, carbon dioxide, foam, dry powder |
| spontaneous combustion temperature | 545°C |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-10 22:29:15
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