2-Butynedioic acid
2-Butynedioic acid structure
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Common Name | 2-Butynedioic acid | ||
|---|---|---|---|---|
| CAS Number | 142-45-0 | Molecular Weight | 114.056 | |
| Density | 1.7±0.1 g/cm3 | Boiling Point | 362.4±25.0 °C at 760 mmHg | |
| Molecular Formula | C4H2O4 | Melting Point | 180-187 °C (dec.)(lit.) | |
| MSDS | Chinese USA | Flash Point | 187.2±19.7 °C | |
| Symbol |
GHS06 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | butynedioic acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.7±0.1 g/cm3 |
|---|---|
| Boiling Point | 362.4±25.0 °C at 760 mmHg |
| Melting Point | 180-187 °C (dec.)(lit.) |
| Molecular Formula | C4H2O4 |
| Molecular Weight | 114.056 |
| Flash Point | 187.2±19.7 °C |
| Exact Mass | 113.995308 |
| PSA | 74.60000 |
| LogP | 0.34 |
| Vapour Pressure | 0.0±1.7 mmHg at 25°C |
| Index of Refraction | 1.560 |
| InChIKey | YTIVTFGABIZHHX-UHFFFAOYSA-N |
| SMILES | O=C(O)C#CC(=O)O |
| Storage condition | 2-8°C |
| Water Solubility | soluble |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H301-H315-H319-H335 |
| Precautionary Statements | P261-P301 + P310-P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges |
| Hazard Codes | T:Toxic;Xi:Irritant; |
| Risk Phrases | R25;R36/37/38 |
| Safety Phrases | S26-S45-S37/39 |
| RIDADR | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| Packaging Group | II |
| Hazard Class | 6.1 |
| HS Code | 29171990 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 8 | |
|---|---|
| DownStream 9 | |
CAS#:110-65-6
CAS#:109-72-8
CAS#:593-60-2
CAS#:124-38-9
CAS#:584-99-6
CAS#:644-80-4
CAS#:17096-37-6
CAS#:1066-26-8
CAS#:10302-94-0
CAS#:328-42-7
CAS#:4546-95-6
CAS#:471-25-0
CAS#:74-86-2
CAS#:14447-02-0
CAS#:3899-96-5
CAS#:142207-58-7This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2917190090 |
|---|---|
| Summary | 2917190090 acyclic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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An efficient and facile synthesis of 3-amino-5-chromenyl-butenolides from 3-formyl chromone, dialkyl acetylenedicarboxylate, and primary amines.
Mol. Divers. 17(1) , 55-61, (2013) A three-component reaction of 3-formyl chromones, dialkyl acetylenedicarboxylate, and isocyanides in the presence of POCl(3) was used as a highly efficient and practical approach for the synthesis of ... |
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Efficient synthesis and in vitro antitubercular activity of 1,2,3-triazoles as inhibitors of Mycobacterium tuberculosis.
Bioorg. Med. Chem. Lett. 21 , 7273-6, (2011) Efficient and rapid synthesis of 1,2,3-triazole derivatives has been achieved via Huisgen's 1,3-dipolar cycloaddition between alkyl/arylazides and diethyl/dimethyl acetylenedicarboxylate in excellent ... |
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Synthesis of symmetrical and unsymmetrical diarylalkynes from propiolic acid using palladium-catalyzed decarboxylative coupling.
J. Org. Chem. 75(18) , 6244-51, (2010) Symmetrical diarylalkynes were obtained from propiolic acid (or 2-butynedioic acid) and aryl halides in good yields. The optimized reaction conditions were 2.0 equiv of aryl halide, 1.0 equiv of propi... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD00004362 |
| Acetylendicarboxylate |
| EINECS 205-536-0 |
| Acetylenedicarboxylic acid |
| but-2-ynedioic acid |
| 2-Butynedioic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the upstream materials of butynedioic acid? |
| A: Related upstream materials(CAS) of butynedioic acid: 110-65-6;109-72-8;593-60-2;124-38-9;584-99-6;644-80-4;17096-37-6;1066-26-8. |
| Q: How is the water solubility of butynedioic acid? |
| A: Water solubility of butynedioic acid: soluble. |
| Q: What is the SMILES notation of butynedioic acid? |
| A: SMILES notation of butynedioic acid is O=C(O)C#CC(=O)O. |
| Q: What is the safety information for butynedioic acid? |
| A: Safety information for butynedioic acid: S26-S45-S37/39. |
| Q: What is the InChIKey of butynedioic acid? |
| A: InChIKey of butynedioic acid is YTIVTFGABIZHHX-UHFFFAOYSA-N. |
| Q: What is the melting point of butynedioic acid? |
| A: Melting point of butynedioic acid is 180-187 °C (dec.)(lit.). |
| Q: What is the CAS number of butynedioic acid? |
| A: CAS number of butynedioic acid is 142-45-0. |
| Q: What is the English name of butynedioic acid? |
| A: The English name of butynedioic acid is butynedioic acid. |
| Q: What English synonyms does butynedioic acid have? |
| A: English synonyms of butynedioic acid: MFCD00004362, Acetylendicarboxylate, EINECS 205-536-0, Acetylenedicarboxylic acid, but-2-ynedioic acid, 2-Butynedioic acid. |
| Q: What is the molecular formula of butynedioic acid? |
| A: Molecular formula of butynedioic acid is C4H2O4. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| Henan Tianfu Chemical Co., Ltd. |