|
|
| | Acetylenedicarboxylic acid Basic information |
| | Acetylenedicarboxylic acid Chemical Properties |
| Melting point | 180-187 °C (dec.) (lit.) | | Boiling point | 133.5°C (rough estimate) | | bulk density | 550kg/m3 | | density | 1.1794 (rough estimate) | | refractive index | 1.5260 (estimate) | | Fp | 131 °C | | storage temp. | 2-8°C | | solubility | Methanol (Slightly), Water | | pka | pK1: 1.75; pK2: 4.40 (25°C) | | form | Crystalline Powder or Crystals | | color | White or cream to beige | | Water Solubility | soluble | | BRN | 878357 | | InChI | 1S/C4H2O4/c5-3(6)1-2-4(7)8/h(H,5,6)(H,7,8) | | InChIKey | YTIVTFGABIZHHX-UHFFFAOYSA-N | | SMILES | OC(=O)C#CC(O)=O | | CAS DataBase Reference | 142-45-0(CAS DataBase Reference) | | NIST Chemistry Reference | 2-Butynedioic acid(142-45-0) | | EPA Substance Registry System | 2-Butynedioic acid (142-45-0) |
| Hazard Codes | T,Xi | | Risk Statements | 25-36/37/38 | | Safety Statements | 26-45-37/39 | | RIDADR | UN 2811 6.1/PG 3 | | WGK Germany | 3 | | TSCA | TSCA listed | | HazardClass | 6.1 | | PackingGroup | II | | HS Code | 29171990 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Acute Tox. 3 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | Acetylenedicarboxylic acid Usage And Synthesis |
| Chemical Properties | cream coloured to beige crystalline powder or | | Uses | Acetylenedicarboxylic acid is employed in the preparation of dimethyl acetylenedicarboxylate and potassium hydrogenacetylenedicarboxylate. It is also used as a laboratory reagent. Further, it is used as a precursor in organic synthesis and also serves as a pharmaceutical intermediate. | | Definition | ChEBI: An acetylenic compound that is acetylene in which the hydrogens are replaced by carboxy groups. | | Purification Methods | The acid is soluble in Et2O and crystallises from Et2O/pet ether (m 183-183.5o), or H2O as the dihydrate which dehydrates in a desiccator over conc H2SO4 in a vacuum. The dipicrate crystallises from aqueous ether. For the mono K salt see entry in “Metal-organic Compounds”, Chapter 5. [Abbott et al. Org Synth Coll Vol II 10 1943, Huntress et al. Org Synth Coll Vol IV 329 1963, Beilstein 2 H 801, 2 I 317, 2 II 670, 2 III 1991, 2 IV 2290.] |
| | Acetylenedicarboxylic acid Preparation Products And Raw materials |
|