2-丁炔二酸
Acetylenedicarboxylic acid
CAS: 142-45-0
Molecular Formula: C4H2O4
2-丁炔二酸 - Names and Identifiers
| Name | Acetylenedicarboxylic acid |
| Synonyms | NSC-1903 NSC-631597 2-Butynedioate but-2-ynedioate Butynedioic acid But-2-ynedioic acid but-2-ynedioic acid Acetylen-dicarbonsαure Acetylenedicarboxylic acid Acetaylenedicarboxylic Acid potassium 3-carboxyprop-2-ynoate ACETYLENEDICARBOXYLIC ACID FREE ACID |
| CAS | 142-45-0 |
| EINECS | 205-536-0 |
| InChI | InChI=1/C4H2O4/c5-3(6)1-2-4(7)8/h(H,5,6)(H,7,8)/p-2 |
| InChIKey | YTIVTFGABIZHHX-UHFFFAOYSA-N |
2-丁炔二酸 - Physico-chemical Properties
| Molecular Formula | C4H2O4 |
| Molar Mass | 114.06 |
| Density | 1.1794 (rough estimate) |
| Melting Point | 180-187 °C (dec.) (lit.) |
| Boling Point | 133.5°C (rough estimate) |
| Flash Point | 131 °C |
| Water Solubility | soluble |
| Vapor Presure | 3.08E-06mmHg at 25°C |
| Appearance | White to brownish brown powder |
| Color | White or cream to beige |
| BRN | 878357 |
| pKa | pK1: 1.75; pK2: 4.40 (25°C) |
| Storage Condition | 2-8°C |
| Sensitive | Sensitive to heat and air |
| Refractive Index | 1.5260 (estimate) |
| MDL | MFCD00004362 |
| Physical and Chemical Properties | The dihydrate is a colorless crystal. Anhydrous melting point 180-187 deg C (decomposition). Soluble in water, ethanol and ether, strong acidic, |
2-丁炔二酸 - Risk and Safety
| Risk Codes | R25 - Toxic if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S37/39 - Wear suitable gloves and eye/face protection |
| UN IDs | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29171990 |
| Hazard Class | 6.1 |
| Packing Group | II |
2-丁炔二酸 - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| use | pharmaceutical intermediate, used to produce antidote sodium dimercaptosuccinate. It is usually used to synthesize its ester derivatives, dimethyl acetyl diformate (DMAD) and dimethyl acetyl diformate, which are useful precursors in organic synthesis. |
| Production method | Using α,β-dibromosuccinic acid as raw material, sodium butynodiate is obtained by removing HBr in alkali solution. Preparation process of sodium butynodioic acid: prepare sodium hydroxide solution, cool, and add α,β-dibromosuccinic acid one by one. After adding, raise the temperature to 40 ℃ and keep the temperature for 3h. Cool and crystallize to below 10°C, filter, crystallize and dry to obtain sodium butynodisinate. Yield 75-87%. |
Last Update：2024-04-09 02:00:06
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