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| | 3-Chloro-2-methylbenzoic acid Basic information |
| | 3-Chloro-2-methylbenzoic acid Chemical Properties |
| Melting point | 163-166 °C (lit.) | | Boiling point | 290.9±20.0 °C(Predicted) | | density | 1.310±0.06 g/cm3(Predicted) | | storage temp. | Sealed in dry,Room Temperature | | solubility | soluble in Methanol | | form | powder to crystal | | pka | 3.58±0.10(Predicted) | | color | White to Light yellow to Light orange | | BRN | 1072826 | | InChI | InChI=1S/C8H7ClO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,1H3,(H,10,11) | | InChIKey | HXGHMCLCSPQMOR-UHFFFAOYSA-N | | SMILES | C(O)(=O)C1=CC=CC(Cl)=C1C | | CAS DataBase Reference | 7499-08-3(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36 | | WGK Germany | 3 | | RTECS | XU1645000 | | HazardClass | IRRITANT | | HS Code | 29163990 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 3-Chloro-2-methylbenzoic acid Usage And Synthesis |
| Chemical Properties | white to light yellow crystal powder | | Synthesis | In a 100 mL three-necked flask equipped with a reflux condenser, 1.36 g (10 mmol) of 2-methylbenzoic acid was suspended in 25 mL of 30% (w/w) sulfuric acid. Subsequently, 2.4 g (15 mmol) of iodine monochloride was dissolved in 5 g of acetic acid and added slowly and dropwise to the reaction mixture over 40 min. The reaction was continued at 90°C for 5 hours. Upon completion of the reaction, the mixture was poured into 90 mL of water, the precipitate was collected by filtration and washed with aqueous sodium sulfite to give 1.6 g of crystalline solid product. Analysis of the product showed the following compositional distribution: 33% 2-methylbenzoic acid, 13% 5-chloro-2-methylbenzoic acid, 9% 3-chloro-2-methylbenzoic acid, 38% 5-iodo-2-methylbenzoic acid, 5% 3-iodo-2-methylbenzoic acid, and 2% other impurities. Attempts were made to purify the above mixture by recrystallization from acetic acid or isopropanol to isolate 5-iodo-2-methylbenzoic acid, but the purity of the mixture was not significantly improved, making it difficult to obtain pure 5-iodo-2-methylbenzoic acid. | | References | [1] Patent: EP1595862, 2005, A1. Location in patent: Page/Page column 11-12 |
| | 3-Chloro-2-methylbenzoic acid Preparation Products And Raw materials |
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