| Identification | Back Directory | [Name]
5-Ethynylisophthalic acid | [CAS]
432025-97-3 | [Synonyms]
5-Ethynylisophthalic acid
5-ETHYNYLBENZENE-1,3-DIOIC ACID
5-Ethynyl-1,3-benzenedicarboxylic acid
1,3-Benzenedicarboxylic acid, 5-ethynyl- | [Molecular Formula]
C10H6O4 | [MDL Number]
MFCD14635840 | [MOL File]
432025-97-3.mol | [Molecular Weight]
190.15 |
| Chemical Properties | Back Directory | [Melting point ]
245-255°C | [Boiling point ]
450.7±40.0 °C(Predicted) | [density ]
1.47±0.1 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,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 |
| Safety Data | Back Directory | [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 |
| Hazard Information | Back Directory | [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 |
|
| Company Name: |
Energy Chemical
|
| Tel: |
021-021-58432009 400-005-6266 |
| Website: |
http://www.energy-chemical.com |
| Company Name: |
Spectrum Chemical Manufacturing Corp.
|
| Tel: |
021-021-021-67601398-809-809-809 15221380277 |
| Website: |
www.spectrumchemical.com/oa_html/index.jsp?minisite=10020&respid=22372&language=us |
| Company Name: |
Sigma-Aldrich
|
| Tel: |
021-61415566 800-8193336 |
| Website: |
https://www.sigmaaldrich.cn |
|