CAS 142-45-0 Acetylenedicarboxylic Acid - Materials / Alfa Chemistry

NAVIGATION

Acetylenedicarboxylic Acid

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Catalog Number

ACM142450-1

CAS Number

142-45-0

Product Name

Acetylenedicarboxylic Acid

Structure

Category

Monomers

Synonyms

2-ButynedioicAcid

IUPAC Name

but-2-ynedioic acid

Molecular Weight

114.06

Molecular Formula

C4H2O4

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)

InChI Key

YTIVTFGABIZHHX-UHFFFAOYSA-N

Boiling Point

362.4 °C at 760 mmHg

Melting Point

178 °C

Flash Point

131 °C

Purity

98%

Density

1.1794 (rough estimate)

Appearance

White to Light yellow powder to crystal

Application

Acetylenedicarboxylic Acid, a cream-colored to beige crystalline powder, serves multiple purposes in various scientific and industrial applications. Primarily, it is utilized in the preparation of compounds such as dimethyl acetylenedicarboxylate and potassium hydrogenacetylenedicarboxylate. Its role as a laboratory reagent is noteworthy, providing utility in a range of experimental settings. Additionally, it acts as a crucial precursor in organic synthesis, aiding in the creation of more complex molecules, and functions as a pharmaceutical intermediate, facilitating the development of medicinal compounds. Acetylenedicarboxylic Acid is an acetylenic compound where the hydrogen atoms of acetylene are replaced by carboxyl groups, offering unique chemical properties that underpin its diverse applications.

Storage

Store under inert gas

Complexity

161

Covalently-Bonded Unit Count

EC Number

213-169-2;205-536-0

Exact Mass

113.995309g/mol

Formal Charge

Hazard Statements

H301 : Toxic if swallowed.H314 : Causes severe skin burns and eye damage.

Heavy Atom Count

MDL Number

MFCD00004362

MeSH Entry Terms

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

Monoisotopic Mass

113.995309g/mol

NSC Number

631597;1903

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P260 : Do not breathe dusts or mists.P270 : Do not eat, drink or smoke when using this product.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P303 + P361 + P353 : IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water/shower.P301 + P330 + P331 : IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.P363 : Wash contaminated clothing before reuse.P301 + P310 + P330 : IF SWALLOWED: Immediately call a POISON CENTER/doctor. Rinse mouth.P304 + P340 + P310 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Immediately call a POISON CENTER/doctor.P305 + P351 + P338 + P310 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Immediately call a POISON CENTER/doctor.P405 : Store locked up.

Refractive Index

1.5260 (estimate)

Rotatable Bond Count

Signal Word

Danger

UNII

2D2OJ4KO44

XLogP3

0.1

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