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| | 5-Ethynylisophthalic acid Basic information |
| Product Name: | 5-Ethynylisophthalic acid | | Synonyms: | 5-Ethynyl-1,3-benzenedicarboxylic acid;5-Ethynylisophthalic acid;5-ETHYNYLBENZENE-1,3-DIOIC ACID;1,3-Benzenedicarboxylic acid, 5-ethynyl-;DK7429;5-yneylorthobenzenedimacetic acid | | CAS: | 432025-97-3 | | MF: | C10H6O4 | | MW: | 190.15 | | EINECS: | | | Product Categories: | | | Mol File: | 432025-97-3.mol |  |
| | 5-Ethynylisophthalic acid Chemical Properties |
| Melting point | 245-255°C | | Boiling point | 450.7±40.0 °C(Predicted) | | density | 1.47±0.1 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | form | solid | | pka | 3.32±0.10(Predicted) | | Appearance | White to off-white Solid | | InChI | 1S/C10H6O4/c1-2-6-3-7(9(11)12)5-8(4-6)10(13)14/h1,3-5H,(H,11,12)(H,13,14) | | InChIKey | XKEUZQRIANAGPB-UHFFFAOYSA-N | | SMILES | OC(=O)c1cc(cc(c1)C(O)=O)C#C |
| Hazard Codes | Xn | | Risk Statements | 22-36/37/38 | | Safety Statements | 26 | | WGK Germany | 3 | | HS Code | 2917399590 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 5-Ethynylisophthalic acid Usage And Synthesis |
| Uses | MOF linker used for the synthesis of MOFs with pores which can be further functionalized by click chemistry | | General Description | This product has been enhanced for energy efficiency. | | Synthesis | Dimethyl 5-(trimethylsilyl ethynyl) isophthalate (3) (0.7 g, 3.2 mmol) was synthesized in one step by reacting with NaOH (1.412 g, 35.3 mmol) in THF (20 ml) for 4 h at room temperature. After completion of the reaction, the resulting precipitate was separated by centrifugation and dissolved in water. NaOH (0.1 M, 50 ml) was added and stirred for 2 h at room temperature. Subsequently, the reaction mixture was cooled to 0 °C in an ice bath and acidified to pH 1-2 with 10% HCl. The resulting precipitate was separated by centrifugation, washed twice with water and dried to give 5-alkynyl phthalic acid as a powdered product. Yield: 0.47 g, 77% yield. | | References | [1] Patent: US2014/4048, 2014, A1. Location in patent: Paragraph 0089
[2] Inorganic Chemistry, 2011, vol. 50, # 18, p. 9097 - 9105 |
| | 5-Ethynylisophthalic acid Preparation Products And Raw materials |
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