Acetylenedicarboxylic acid

Base Information Edit

Chemical Name:Acetylenedicarboxylic acid
CAS No.:142-45-0
Molecular Formula:C4H2O4
Molecular Weight:114.057
Hs Code.:29171990
European Community (EC) Number:205-536-0
NSC Number:631597,1903
UNII:2D2OJ4KO44
DSSTox Substance ID:DTXSID3059715
Nikkaji Number:J2.544E
Wikipedia:Acetylenedicarboxylic_acid
Wikidata:Q410634
Metabolomics Workbench ID:49790
ChEMBL ID:CHEMBL1874364
Mol file:142-45-0.mol

Synonyms:2-butynedioic acid;2-butynedioic acid, potassium salt;acetylenedicarboxylic acid

Suppliers and Price of Acetylenedicarboxylic acid

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Acetylenedicarboxylic Acid
100g
$ 255.00

TCI Chemical
Acetylenedicarboxylic Acid >90.0%(HPLC)
25g
$ 150.00

TCI Chemical
Acetylenedicarboxylic Acid >90.0%(HPLC)
5g
$ 30.00

Sigma-Aldrich
Acetylenedicarboxylic acid 95%
25g
$ 158.00

Sigma-Aldrich
Acetylenedicarboxylic acid for synthesis. CAS 142-45-0, molar mass 114.05 g/mol., for synthesis
8001470010
$ 75.70

Sigma-Aldrich
Acetylenedicarboxylic acid 95%
5g
$ 46.70

Frontier Specialty Chemicals
Acetylenedicarboxylic Acid 98%
5g
$ 31.00

Crysdot
But-2-ynedioicacid 95+%
25g
$ 104.00

BroadPharm
Acetylenedicarboxylic Acid 97%
1 G
$ 45.00

Biosynth Carbosynth
Acetylenedicarboxylic acid
25 g
$ 180.00

Total 106 raw suppliers

Chemical Property of Acetylenedicarboxylic acid Edit

Chemical Property:

Appearance/Colour:cream coloured to beige crystalline powder
Vapor Pressure:3.08E-06mmHg at 25°C
Melting Point:180-187 °C
Refractive Index:1.5260 (estimate)
Boiling Point:362.4 °C at 760 mmHg
PKA:pK1: 1.75; pK2: 4.40 (25°C)
Flash Point:187.2 °C
PSA：74.60000
Density:1.699 g/cm³
LogP:-0.84100
Storage Temp.:2-8°C
Water Solubility.:soluble
XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:113.99530854
Heavy Atom Count:8
Complexity:161

Purity/Quality:

99% ^*data from raw suppliers

Acetylenedicarboxylic Acid ^*data from reagent suppliers

Safty Information:

Pictogram(s): T,Xi
Hazard Codes:T,Xi
Statements: 25-36/37/38
Safety Statements: 26-45-37/39

MSDS Files:: Total 1 MSDS from other Authors

Useful:

Chemical Classes:Other Classes -> Other Organic Compounds
Canonical SMILES:C(#CC(=O)O)C(=O)O
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.

Technology Process of Acetylenedicarboxylic acid

There total 34 articles about Acetylenedicarboxylic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

: 75-20-7
calcium carbide

: 142-45-0
Acetylenedicarboxylic acid

Guidance literature:: With sodium carbonate; silver nitrate; triphenylphosphine; In acetonitrile; at 60 ℃; for 20h; under 15001.5 Torr; Temperature; Pressure; Reagent/catalyst; Solvent; Sealed tube;

Reference yield: 88.5%

: 617-48-1,78644-42-5
malic acid

: 142-45-0
Acetylenedicarboxylic acid

Guidance literature:: malic acid; With sulfuryl dichloride; sodium carbonate; In dimethyl sulfoxide; at 20 - 30 ℃; for 2h; Inert atmosphere;

In dimethyl sulfoxide; at 80 ℃; for 2h; Solvent; Reagent/catalyst; Inert atmosphere;