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| | 3,4-Dichlorobenzaldehyde Basic information |
| | 3,4-Dichlorobenzaldehyde Chemical Properties |
| Melting point | 39-42 °C (lit.) | | Boiling point | 247-248 °C (lit.) | | density | 1.3456 (rough estimate) | | refractive index | 1.5756 (estimate) | | Fp | >230 °F | | storage temp. | 2-8°C | | solubility | soluble in Methanol | | form | Low Melting Solid | | color | White to slightly yellow | | Water Solubility | INSOLUBLE | | Sensitive | Air Sensitive | | BRN | 636379 | | InChI | 1S/C7H4Cl2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H | | InChIKey | ZWUSBSHBFFPRNE-UHFFFAOYSA-N | | SMILES | [H]C(=O)c1ccc(Cl)c(Cl)c1 | | CAS DataBase Reference | 6287-38-3(CAS DataBase Reference) | | NIST Chemistry Reference | Benzaldehyde, 3,4-dichloro-(6287-38-3) | | EPA Substance Registry System | Benzaldehyde, 3,4-dichloro- (6287-38-3) |
| Hazard Codes | C,Xi | | Risk Statements | 34-36/37/38 | | Safety Statements | 26-27-28-36/37/39-45 | | RIDADR | UN 1759 8/PG 2 | | WGK Germany | 3 | | F | 9-23 | | Hazard Note | Irritant/Air Sensitive | | TSCA | TSCA listed | | HazardClass | 8 | | PackingGroup | III | | HS Code | 29130000 | | Storage Class | 8A - Combustible corrosive hazardous materials | | Hazard Classifications | Eye Dam. 1
Skin Corr. 1B |
| | 3,4-Dichlorobenzaldehyde Usage And Synthesis |
| Chemical Properties | white to slightly yellow low melting solid | | Uses | 3,4-Dichlorobenzaldehyde was used to design and prepare chalcone derivatives as potential antitumor agents, anti-inflammatory and cancer chemopreventive agents. | | General Description | White crystalline solid or chunky powder. | | Air & Water Reactions | 3,4-Dichlorobenzaldehyde may be sensitive to prolonged exposure to air, light and moisture. Insoluble in water. | | Reactivity Profile | 3,4-Dichlorobenzaldehyde is incompatible with strong oxidizers and strong bases. 3,4-Dichlorobenzaldehyde may also be incompatible with iron. | | Fire Hazard | 3,4-Dichlorobenzaldehyde is probably combustible. | | Synthesis | 3,4-Dichlorobenzaldehyde (10c) was synthesized through a series of reactions using 1,2-dichloro-4-(trichloromethyl)benzene as starting material. The product was characterized by nuclear magnetic resonance hydrogen spectroscopy (1H NMR, 500 MHz, CDCl3) with chemical shifts of δ9.95 (s, 1H), 7.97 (s, 1H), 7.73 (d, 1H, J = 8.0 Hz), 7.64 (d, 1H, J = 8.0 Hz), respectively. The 1H NMR spectra of the obtained products were in agreement with the data reported in reference 20, confirming the structure of the target compounds. | | References | [1] Tetrahedron, 2014, vol. 70, # 30, p. 4540 - 4546 |
| | 3,4-Dichlorobenzaldehyde Preparation Products And Raw materials |
| Raw materials | Hexamethylenetetramine-->1,2-Dichlorobenzene-->5-Chloro-2-hydroxy-2,4,6-cycloheptatrien-1-one-->2,4,6-Cycloheptatrien-1-one, 2,5-dichloro--->METHYL 3,4-DICHLOROBENZOATE-->3,4-Dichlorobenzotrichloride-->3,4-DICHLOROBENZALDEHYDE OXIME-->3,4-Dichlorobenzyl alcohol-->3,4-Dichloroiodobenzene-->3,4-DICHLOROBENZYL MERCAPTAN-->Ironpentacarbonyl-->1,2-Dichloro-4-(chloromethyl)benzene-->3,4-Dichlorotoluene | | Preparation Products | 2,3',4'-TRICHLOROACETOPHENONE-->3',4'-DICHLOROACETOPHENONE-->3-Chloro-4-fluorobenzaldehyde-->3,4-DICHLOROPHENYLACETYLENE-->(4R)-(3',4'-Dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one |
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