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| | Methyl 4-iodosalicylate Basic information | | Structure |
| Product Name: | Methyl 4-iodosalicylate | | Synonyms: | Methyl 2-Hydroxy-4-iodobenzoate
4-Iodosalicylic Acid Methyl Ester
2-Hydroxy-4-iodobenzoic Acid Methyl Ester;Methyl 4-iodosalicylate, 5-Iodo-2-(methoxycarbonyl)phenol;Methyl 4-iodosalicylate 97%;Methyl4-Iodosilicylate;2-Hydroxy-4-iodobenzoic Acid Methyl Ester;4-Iodosalicylic Acid Methyl Ester;Methyl4-Iodosalicylate>;Benzoic acid, 2-hydroxy-4-iodo-, methyl ester | | CAS: | 18179-39-0 | | MF: | C8H7IO3 | | MW: | 278.04 | | EINECS: | | | Product Categories: | | | Mol File: | 18179-39-0.mol |  |
| | Methyl 4-iodosalicylate Chemical Properties |
| Melting point | 69-73 °C | | Boiling point | 309.7±32.0 °C(Predicted) | | density | 1.880±0.06 g/cm3(Predicted) | | storage temp. | Keep in dark place,Inert atmosphere,Room temperature | | solubility | Chloroform (Slightly), Methanol (Slightly) | | form | powder to crystal | | pka | 8.91±0.10(Predicted) | | color | White to Gray to Brown | | Sensitive | Light Sensitive | | InChIKey | WUFUURSWOJROKY-UHFFFAOYSA-N |
| Hazard Codes | T | | Risk Statements | 25 | | Safety Statements | 45 | | RIDADR | UN 2811 6.1/PG 3 | | WGK Germany | 3 | | F | 8 | | Hazard Note | Toxic | | PackingGroup | III | | HS Code | 2918290090 |
| | Methyl 4-iodosalicylate Usage And Synthesis |
| Structure | 2-hy-droxy-4-iodo-benzoic acid methyl ester (methyl 4-iodo-salicylate, C8H7IO3) allows for an effective way of incorporating the methyl salicylates within larger organic mol-ecules, using such methodologies as McClure protocols, which take advantage of the iodine atom at the 4-position of the aromatic ring for the formation of carbon-carbon bonds. The iodine atom is also capable of forming supra-molecular synthons, which may be useful for crystal engineering. At 90?K, the methyl 4-iodo-salicylat displays monoclinic (P21/c) symmetry with one mol-ecule in the asymmetric unit. Inter-molecular hydrogen bonding inter-actions occur between the hy-droxy groups of one mol-ecule and the carbonyl oxygen atom of the methyl ester of an adjacent mol-ecule to form a centrosymmetric dimeric pair with H?O = 2.53?(4)??. An O3—H3?O2 intra-molecular hydrogen bond also exists with an H?O distance of 2.05?(4)??. The C5?C8 [3.326?(3)??] and O3?H1C (2.51??) inter-actions provide only short contacts between the stacks of offset (102) parallel sheets, which make up the crystal. These sheets, in turn, contain the inversion-generated hydrogen-bonded dimers. The non-hydrogen atoms of the mol-ecule are essentially coplanar with no displacement from the mean mol-ecular plane greater than 0.132??.
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| | Methyl 4-iodosalicylate Preparation Products And Raw materials |
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