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Acetylenedicarboxylic acid monopotassium salt

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Name

Acetylenedicarboxylic acid monopotassium salt

EINECS 213-169-2
CAS No. 928-04-1 Density N/A
PSA 77.43000 LogP -2.17570
Solubility slightly soluble in water(20 °C) Melting Point 133 °C
Formula C4HKO4 Boiling Point 362.4oC at 760 mmHg
Molecular Weight 152.148 Flash Point 187.2oC
Transport Information UN 2811 6.1/PG 1 Appearance white powder
Safety 26-36/37/39-45 Risk Codes 23/25-27-36/37/38
Molecular Structure Molecular Structure of 928-04-1 (Acetylenedicarboxylic acid monopotassium salt) Hazard Symbols VeryT+
Synonyms

potassium,4-hydroxy-4-oxobut-2-ynoate

Article Data 2

Acetylenedicarboxylic acid monopotassium salt Synthetic route

67-56-1

methanol

928-04-1

acetylene dicarboxylic acid mono potassium salt

542-92-7

cyclopenta-1,3-diene

947-57-9

dimethyl bicyclo[2.2.1]hept-2,5-diene-2,3-dicarboxylate

Conditions
ConditionsYield
Stage #1: methanol; acetylene dicarboxylic acid mono potassium salt With hydrogenchloride In 1,4-dioxane for 0.166667h;
Stage #2: cyclopenta-1,3-diene In 1,4-dioxane; methanol at 20℃; Diels-Alder Cycloaddition;
97%
64-17-5

ethanol

928-04-1

acetylene dicarboxylic acid mono potassium salt

762-21-0

acetylenedicarboxylic acid diethyl ester

Conditions
ConditionsYield
With sulfuric acid In benzene for 24h; Heating;95%
928-04-1

acetylene dicarboxylic acid mono potassium salt

5029-68-5

α-Iodofumaric acid

Conditions
ConditionsYield
85%
With hydrogen iodide
928-04-1

acetylene dicarboxylic acid mono potassium salt

608-38-8

trans-2,3-dibromobutenedioic acid

Conditions
ConditionsYield
With bromine; sodium bromide; potassium hydroxide In water at 20℃; for 24h;80.47%
Stage #1: acetylene dicarboxylic acid mono potassium salt With bromine; potassium hydroxide
Stage #2: With hydrogenchloride
928-04-1

acetylene dicarboxylic acid mono potassium salt

542-92-7

cyclopenta-1,3-diene

15872-28-3

bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic acid

Conditions
ConditionsYield
With hydrogenchloride In water at 25℃; for 4h; Diels-Alder Cycloaddition;79%
With hydrogenchloride In water for 0.333333h; Ambient temperature;38%
928-04-1

acetylene dicarboxylic acid mono potassium salt

3634-35-3

Propiolsaeure

Conditions
ConditionsYield
With water-d2 at 100℃; for 2h;78%
75-77-4

chloro-trimethyl-silane

928-04-1

acetylene dicarboxylic acid mono potassium salt

78619-83-7

Acetylenedicarboxylic acid monotrimethylsilyl ester

Conditions
ConditionsYield
In benzene 1.) cooled (freezing mixture), 10 min, 2.) reflux, 5 h;60%
928-04-1

acetylene dicarboxylic acid mono potassium salt

18910-53-7

<3-2H>propiolic acid

Conditions
ConditionsYield
With water-d2 a) from RT to reflux, 2 h, b) reflux, 1 h;54%
With water-d2 for 2h; Heating;
67-56-1

methanol

ammonium hexafluorophosphate

RuCl(PPh3)2Cp

928-04-1

acetylene dicarboxylic acid mono potassium salt

(η-cyclopentadienyl)(methoxy(methyl)carbene)bis(triphenylphosphine)ruthenium(II) hexafluorophosphate

Conditions
ConditionsYield
In neat (no solvent) for 6h; Inert atmosphere; Reflux;53%

(hydrotris(3,5-dimethyl-1-pyrazolyl)borate)V(O)(Cl)(3,5-dimethylpyrazole)

928-04-1

acetylene dicarboxylic acid mono potassium salt

{VO((N2(CCH3)2CH)3BH)(HN2(CCH3)2CH)}2(OOCC2COO)*2CH3CN*2H2O

Conditions
ConditionsYield
In water; acetonitrile addn. of potassium salt in water to V-complex in MeCN, stirring (room temp., 3h), pptn.; filtration off, washing (water, MeCN, Et2O), drying (desiccator, 2 h), recrystn. (CH2Cl2/toluene 1/1 v/v); elem. anal.;51%

Acetylenedicarboxylic acid monopotassium salt Consensus Reports

Reported in EPA TSCA Inventory.

Acetylenedicarboxylic acid monopotassium salt Specification

The Acetylenedicarboxylic acid monopotassium salt, with the CAS registry number 928-04-1, is also known as 2-Butynedioic acid monopotassium salt. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Acetylenes; Acetylenic Carboxylic Acids & Their Derivatives. Its EINECS registry number is 213-169-2. This chemical's molecular formula is C4HKO4 and molecular weight is 152.15. What's more, its IUPAC name is called Potassium 4-hydroxy-4-oxobut-2-ynoate. It should be stored in a cool, dry and well-ventilated place.

Physical properties about Acetylenedicarboxylic acid monopotassium salt are: (1)#H bond acceptors: 4; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 80.26 Å2.

Uses of Acetylenedicarboxylic acid monopotassium salt: (1) it is used as organic intermediate; (2) it is used to produce other chemicals. For example, it can react with ethanol to get butynedioic acid diethyl ester. The reaction occurs with reagent H2SO4 and other condition of heating for 24 hours. The yield is 95 %.

Acetylenedicarboxylic acid monopotassium salt can react with ethanol to get butynedioic acid diethyl ester.

When you are dealing with this chemical, you should be very careful. This chemical causes damage to health at very low levels. It is toxic by inhalation and if swallowed. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: [K+].[O-]C(=O)C#CC([O-])=O
(2) InChI: InChI=1S/C4H2O4.K/c5-3(6)1-2-4(7)8;/h(H,5,6)(H,7,8);/q;+1/p-2
(3) InChIKey: KLLYWRUTRAFSJT-UHFFFAOYSA-L

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 skin 25mg/kg (25mg/kg)   United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-1278-0263,
mouse LD50 intraperitoneal 32mg/kg (32mg/kg)   Toxicology and Applied Pharmacology. Vol. 17, Pg. 733, 1970.
mouse LD50 intravenous 89mg/kg (89mg/kg)   Toxicology and Applied Pharmacology. Vol. 17, Pg. 733, 1970.
mouse LD50 oral 63mg/kg (63mg/kg)   Toxicology and Applied Pharmacology. Vol. 17, Pg. 733, 1970.

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