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ChemicalBook--->CAS DataBase List--->142-45-0

142-45-0

142-45-0 Structure

142-45-0 Structure
IdentificationMore
[Name]

Acetylenedicarboxylic acid
[CAS]

142-45-0
[Synonyms]

2-BUTYNE-1,4-DIOIC ACID
2-BUTYNEDIOIC ACID
ACETYLENEDICARBOXYLIC ACID
BUTYNEDIOIC ACID
Acetaylenedicarboxylic Acid
ACETYLENEDICARBOXYLIC ACID FREE ACID
BUTYNEDIOIC ACID ACETYLENE DICARBOXYLIC ACID 99%
Acetylenedicarboxylic acid,98%
Acetylen-dicarbonsαure
But-2-ynedioic acid
2-Butynedioate
NSC-1903
NSC-631597
[EINECS(EC#)]

205-536-0
[Molecular Formula]

C4H2O4
[MDL Number]

MFCD00004362
[Molecular Weight]

114.06
[MOL File]

142-45-0.mol
Chemical PropertiesBack Directory
[Appearance]

cream coloured to beige crystalline powder or
[Melting point ]

180-187 °C (dec.) (lit.)
[Boiling point ]

133.5°C (rough estimate)
[density ]

1.1794 (rough estimate)
[refractive index ]

1.5260 (estimate)
[Fp ]

131 °C
[storage temp. ]

2-8°C
[form ]

Crystalline Powder or Crystals
[pka]

pK1: 1.75; pK2: 4.40 (25°C)
[color ]

White or cream to beige
[Water Solubility ]

soluble
[BRN ]

878357
[InChIKey]

YTIVTFGABIZHHX-UHFFFAOYSA-N
[CAS DataBase Reference]

142-45-0(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Butynedioic acid(142-45-0)
[EPA Substance Registry System]

142-45-0(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

T,Xi
[Risk Statements ]

R25:Toxic if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

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 label where possible) .
S37/39:Wear suitable gloves and eye/face protection .
[RIDADR ]

UN 2811 6.1/PG 3
[WGK Germany ]

3
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

II
[HS Code ]

29171990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2,3-Dibromosuccinic acid-->(Z)-Bromofumaric acid-->cis-2-chloro-2-butenedioyl dichloride-->acetylene-bis-magnesium bromide, Fandachem-->Butanedioic acid, 2,2-dibromo--->bromomaleic acid-->2-Butyne-1,4-diol-->Vinyl bromide-->Carbon dioxide-->SODIUM ACETYLIDE-->Calcium carbide
[Preparation Products]

Dimercaptosuccinic acid-->Acetaldehyde-->4,4'-DIFLUORODIPHENYLACETYLENE-->DI-P-TOLYLACETYLENE-->DI-TERT-BUTYL ACETYLENEDICARBOXYLATE-->1,4-Cyclohexadiene-1,2-dicarboxylic acid
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Acetylenedicarboxylic acid(142-45-0).msds
Hazard InformationBack Directory
[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.]
Spectrum DetailBack Directory
[Spectrum Detail]

Acetylenedicarboxylic acid(142-45-0)MS
Acetylenedicarboxylic acid(142-45-0)13CNMR
Acetylenedicarboxylic acid(142-45-0)IR1
Acetylenedicarboxylic acid(142-45-0)IR2
Acetylenedicarboxylic acid(142-45-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Acetylenedicarboxylic acid, 99%(142-45-0)
[Alfa Aesar]

Acetylenedicarboxylic acid, 97%(142-45-0)
[Sigma Aldrich]

142-45-0(sigmaaldrich)
[TCI AMERICA]

Acetylenedicarboxylic Acid,>95.0%(T)(142-45-0)
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