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- Name Acetylenedicarboxylic acid
- EINECS205-536-0
- CAS No. 142-45-0
- Density1.699 g/cm3
- PSA74.60000
- LogP-0.84100
- Solubilitysoluble in water
- Melting Point180-187 °C
- FormulaC4H2O4
- Boiling Point362.4 °C at 760 mmHg
- Molecular Weight114.057
- Flash Point187.2 °C
- Transport InformationUN 2811 6.1/PG 3
- Appearancecream coloured to beige crystalline powder
- Safety26-45-37/39
- Risk Codes25-36/37/38
- Molecular Structure
- Hazard Symbols
T,
Xi - SynonymsT,Xi
- Article Data29
Acetylenedicarboxylic acid Synthetic route
| Conditions | Yield |
|---|---|
| With sodium carbonate; silver nitrate; triphenylphosphine In acetonitrile at 60℃; under 15001.5 Torr; for 20h; Temperature; Pressure; Reagent/catalyst; Solvent; Sealed tube; | 98% |
- 526-78-3, 608-35-5, 608-36-6, 1114-00-7
2,3-dibromosuccinic acid
- 142-45-0
Acetylenedicarboxylic acid
| Conditions | Yield |
|---|---|
| With potassium hydroxide In methanol at 90℃; | 87% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide; sodium hypochlorite; 4-acetylamino-2,2,6,6-tetramethyl-1-piperidinoxy In water at 5 - 10℃; pH=8.5 - 10; | 71% |
| at 20℃; for 3h; electrolysis: nickel net anode, cylindrical stainless steel cathode; electrolyte: 1M NaOH/H2O; | 55% |
| With chromium(III) oxide; sulfuric acid; acetone | |
| With sulfuric acid bei der Oxydation an einer Blei(IV)-Anode; |
| Conditions | Yield |
|---|---|
| Stage #1: Vinyl bromide With n-butyllithium In diethyl ether at 0℃; Stage #2: carbon dioxide In diethyl ether Further stages.; | 34% |
| Conditions | Yield |
|---|---|
| With diethyl ether at 0℃; und anschliessend mit festem CO2; |
| Conditions | Yield |
|---|---|
| bei der Umsetzung anschliessend mit festem Kohlendioxid; |
- 17096-37-6
chlorofumaryl chloride
- 142-45-0
Acetylenedicarboxylic acid
| Conditions | Yield |
|---|---|
| With potassium hydroxide; ethanol das Kaliumsalz entsteht; |
| Conditions | Yield |
|---|---|
| With alkali |
| Conditions | Yield |
|---|---|
| With alkali |
Acetylenedicarboxylic acid Chemical Properties
Molecule structure of Acetylenedicarboxylic acid (CAS NO.142-45-0):
IUPAC Name: But-2-ynedioic acid
Molecular Weight: 114.05628 g/mol
Molecular Formula: C4H2O4
Density: 1.699 g/cm3
Melting Point: 180-187 °C (dec.)(lit.)
Boiling Point: 362.4 °C at 760 mmHg
Flash Point: 187.2 °C
Index of Refraction: 1.56
Molar Refractivity: 21.71 cm3
Molar Volume: 67.1 cm3
Surface Tension: 101.4 dyne/cm
Enthalpy of Vaporization: 66.82 kJ/mol
Vapour Pressure: 3.08E-06 mmHg at 25 °C
Storage Temp.: 2-8 °C
Water Solubility: soluble
XLogP3-AA: 0.1
H-Bond Donor: 2
H-Bond Acceptor: 4
Exact Mass: 113.995309
MonoIsotopic Mass: 113.995309
Topological Polar Surface Area: 74.6
Heavy Atom Count: 8
Canonical SMILES: C(#CC(=O)O)C(=O)O
InChI: InChI=1S/C4H2O4/c5-3(6)1-2-4(7)8/h(H,5,6)(H,7,8)
InChIKey: YTIVTFGABIZHHX-UHFFFAOYSA-N
EINECS: 205-536-0
Product Categories: Pharmaceutical Intermediates; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Acetylenic Carboxylic Acids & Their Derivatives; Acetylenes
Acetylenedicarboxylic acid History
Acetylenedicarboxylic acid was first described in 1877 by Polish chemist Ernest Bandrowski.
Acetylenedicarboxylic acid Uses
Both Acetylenedicarboxylic acid (CAS NO.142-45-0) and the monobasic salt potassium hydrogenacetylenedicarboxylate KC4HO4 are commonly traded as laboratory chemicals. Acetylenedicarboxylic acid is an important laboratory reagent. It is also used in the synthesis of dimethyl acetylenedicarboxylate.
Acetylenedicarboxylic acid Production
Acetylenedicarboxylic acid can be made by treating α,β-dibromosuccinic acid with potassium hydroxide KOH in methanol or ethanol. This reaction yields potassium bromide and potassium acetylenedicarboxylate. The salts are separated and the latter is treated with sulfuric acid.
Acetylenedicarboxylic acid Safety Profile
Hazard Codes: 
T, 
Xi
Risk Statements: 25-36/37/38
R25 :Toxic if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-45-37/39
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.
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3
HazardClass: 6.1
PackingGroup: II
HS Code: 29171990
Acetylenedicarboxylic acid Specification
Acetylenedicarboxylic acid (CAS NO.142-45-0) is also named as Butynedioic acid ; NSC 1903 ; NSC 631597 ; 2-Butynedioic acid ; Butynedioic acid . Acetylenedicarboxylic acid (CAS NO.142-45-0) is cream coloured to beige crystalline powder that soluble in ether.
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