Introduction：Basic information about 4-Chloro-3-nitrocinnamic acid CAS 20797-48-2, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
4-Chloro-3-nitrocinnamic acid Basic information
| Product Name: | 4-Chloro-3-nitrocinnamic acid |
| Synonyms: | 4-CHLORO-3-NITROCINNAMIC ACID;3-(4-CHLORO-3-NITROPHENYL)ACRYLIC ACID;RARECHEM BK HW 0228;TIMTEC-BB SBB003306;TRANS-4-CHLORO-3-NITROCINNAMIC ACID;trans-4-Chloro-3-nitrocinnamic acid ,97%;4-Chloro-3-nitrocinnamic acid 97%;tert-4-Chloro-3-nitrocinnamic acid |
| CAS: | 20797-48-2 |
| MF: | C9H6ClNO4 |
| MW: | 227.6 |
| EINECS: | 200-680-0 |
| Product Categories: | Aromatic Cinnamic Acids, Esters and Derivatives;C9;Carbonyl Compounds;Carboxylic Acids |
| Mol File: | 20797-48-2.mol |
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4-Chloro-3-nitrocinnamic acid Chemical Properties
| Melting point | 188-190 °C(lit.) |
| Boiling point | 408.6±35.0 °C(Predicted) |
| density | 1.4751 (rough estimate) |
| refractive index | 1.6000 (estimate) |
| storage temp. | Storage temp. 2-8°C |
| form | powder to crystal |
| pka | 4.03±0.10(Predicted) |
| color | Light yellow to Brown |
| InChI | InChI=1S/C9H6ClNO4/c10-7-3-1-6(2-4-9(12)13)5-8(7)11(14)15/h1-5H,(H,12,13) |
| InChIKey | QBDALTIMHOITIU-DUXPYHPUSA-N |
| SMILES | C(O)(=O)C=CC1=CC=C(Cl)C([N+]([O-])=O)=C1 |
| CAS DataBase Reference | 20797-48-2(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 24/25 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| HS Code | 29163990 |
| Storage Class | 11 - Combustible Solids |
4-Chloro-3-nitrocinnamic acid Usage And Synthesis
| Chemical Properties | yellow crystalline powder |
| Uses | trans-4-Chloro-3-nitrocinnamic acid may be used in chemical synthesis. |
| Synthesis | In a 250mL dry three-necked flask add a certain material quantity ratio of freshly evaporated 4-chloro-3-nitrobenzaldehyde and acetic anhydride, and add a certain amount of catalyst, oscillate to make the mixture homogeneous, install a thermometer and a condenser tube (the upper end of which is connected to a calcium chloride drying tube), and stir it magnetically at a certain temperature for a certain period of time for a full reaction. At the end of the reaction, the pH was adjusted to weakly alkaline with saturated Na2CO3 solution. Then steam distillation until the distillate without oil beads, and then a small amount of activated carbon adsorption of impurities, colorless liquid, while hot, filtration, filtrate with hydrochloric acid adjusted to pH = 3 ~ 4, at this time there are a large number of white crystals precipitated. After standing for a period of time filtration, with a small amount of water to wash the crystals, drying 4-chloro-3-nitro cinnamic acid crude products, crude products with water and ethanol mixture (volume ratio of 3:1) for recrystallization, 4-chloro-3-nitro cinnamic acid yellow crystals. |
4-Chloro-3-nitrocinnamic acid Preparation Products And Raw materials
| Raw materials | Ethanol-->Hydrochloric acid-->Sulfuric acid-->Acetic acid-->PETROLEUM ETHER-->Chloroform-->Acetic anhydride-->Ammonium hydroxide-->Acetone-->Pyridine-->Sodium acetate-->Malonic acid-->4-Chlorobenzaldehyde-->Sodium nitrate-->4-Chloro-3-nitrobenzaldehyde |
