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| | 1H-Pyrazole-3-carboxylicacid,4-chloro-(9CI) Basic information |
| Product Name: | 1H-Pyrazole-3-carboxylicacid,4-chloro-(9CI) | | Synonyms: | 4-Chloro-3-pyrazolecarboxylic acid;1H-Pyrazole-3-carboxylic acid, 4-chloro-;1H-Pyrazole-3-carboxylicacid,4-chloro-(9CI);1H-pyrazole-5-carboxylic acid, 4-chloro-;4-chloro-1H-pyrazole-3-carboxylic acid(SALTDATA: FREE);4-Chloropyrazole-3-carboxylic Acid;4-Chloro-1H-pyrazole-3-carboxylic acid | | CAS: | 84547-87-5 | | MF: | C4H3ClN2O2 | | MW: | 146.53 | | EINECS: | | | Product Categories: | CARBOXYLICACID | | Mol File: | 84547-87-5.mol |  |
| | 1H-Pyrazole-3-carboxylicacid,4-chloro-(9CI) Chemical Properties |
| Melting point | 255-260°C | | Boiling point | 389.8±22.0 °C(Predicted) | | density | 1.714±0.06 g/cm3(Predicted) | | storage temp. | 2-8°C | | form | solid | | pka | 2.70±0.25(Predicted) | | color | White to off-white | | InChI | 1S/C4H3ClN2O2/c5-2-1-6-7-3(2)4(8)9/h1H,(H,6,7)(H,8,9) | | InChIKey | ZOLUACWHRMUETA-UHFFFAOYSA-N | | SMILES | OC(=O)c1n[nH]cc1Cl |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36 | | WGK Germany | 3 | | HS Code | 2933199090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 1H-Pyrazole-3-carboxylicacid,4-chloro-(9CI) Usage And Synthesis |
| Synthesis | A mixture of 4-chloro-3-methylpyrazole hydrochloride (20 mmol, 3.06 g; see step (a)) with potassium permanganate (50 mmol, 11.4 g) in 500 mL of water was stirred thoroughly. The mixture was first stirred at room temperature for 3 days, then warmed up to 70 °C and continued stirring for 5 hours. After completion of the reaction, the mixture was filtered and the filtrate was concentrated. To the concentrate was added 1 M aqueous hydrochloric acid (50 mL) followed by extraction with ethyl acetate (5 x 50 mL). The organic phases were combined, washed with saturated aqueous sodium chloride, dried over anhydrous sodium sulfate and concentrated to give 640 mg (22% yield) of the target product 4-chloro-1H-pyrazole-5-carboxylic acid as a white solid.1H NMR (DMSO-d6, 400 MHz) δ 13.47 (br s, 2H), 7.92 (br s, 1H). | | References | [1] Patent: WO2007/45868, 2007, A1. Location in patent: Page/Page column 49
[2] Patent: WO2007/51981, 2007, A1. Location in patent: Page/Page column 52 |
| | 1H-Pyrazole-3-carboxylicacid,4-chloro-(9CI) Preparation Products And Raw materials |
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