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534-17-8

534-17-8 Structure

534-17-8 Structure
IdentificationMore
[Name]

Cesium carbonate
[CAS]

534-17-8
[Synonyms]

CAESIUM CARBONATE
CESIUM CARBONATE
Carbonicacid,dicesiumsalt
cesiumcarbonate(cs2co3)
cesiumcarbonateanhydrous
dicesiumcarbonate
Cesium carbonate (99% Cs)
Cesiumcarbonatewhitepowder
CESIUM CARBONATE, REAGENTPLUS, 99%
CESIUM CARBONATE, CABOT TECHNICAL GRADE
Cesium carbonate, 99.95% metals basis
CESIUM CARBONATE, CABOT HIGH-PURITY GRA&
CESIUM CARBONATE, 99.9%
CESIUM CARBONATE, 99.995%
CESIUM CARBONATE, 60-80 MESH
CesiumCarbonateGr
CesiumCarbonateGr-(CaesiumCarbonate)
Cesium carbonate anhydrous, 99.8%
Cesium carbonate, for analysis, 99.5%
CESIUM CARBONATE 99.99+%
[EINECS(EC#)]

208-591-9
[Molecular Formula]

CCs2O3
[MDL Number]

MFCD00010957
[Molecular Weight]

325.82
[MOL File]

534-17-8.mol
Chemical PropertiesBack Directory
[Appearance]

Colourless crystals or white powder
[Melting point ]

610 °C (dec.) (lit.)
[density ]

4.072
[vapor pressure ]

0Pa at 25℃
[storage temp. ]

Store at RT.
[solubility ]

soluble in Water
[form ]

Powder/Granules
[color ]

White
[Specific Gravity]

4.072
[PH]

10-12 (20°C, 50g/L in H2O)
[Stability:]

Stable. Very deliquescent. Incompatible with strong oxidizing agents, strong acids.
[Water Solubility ]

261 g/100 mL (20 ºC)
[Specific Heat Capacity]

Cp(crystal):0.380271J/(g·K),at 25℃
[Sensitive ]

Hygroscopic
[Merck ]

14,2010
[BRN ]

4546405
[InChI]

1S/CH2O3.2Cs/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2
[InChIKey]

FJDQFPXHSGXQBY-UHFFFAOYSA-L
[SMILES]

[Cs+].[Cs+].[O-]C([O-])=O
[LogP]

0 at 20℃
[CAS DataBase Reference]

534-17-8(CAS DataBase Reference)
[Storage Precautions]

Store under argon gas
[EPA Substance Registry System]

534-17-8(EPA Substance)
Questions And AnswerBack Directory
[Description]

Cesium carbonate is an inorganic compound. It is a white solid under normal temperature and pressure. It is easily soluble in water and quickly absorbs moisture when placed in the air. Cesium carbonate aqueous solution is strongly alkaline and can react with acid to produce corresponding cesium salt and water, and release carbon dioxide. Cesium carbonate is easy to transform, can be used as a precursor of other cesium salts, and is a widely used cesium salt.  
Cesium carbonate.jpg
[Uses]

Cesium carbonate can be used as a modified layer between the active layer of the solar cell and the Al electrode to improve the conversion efficiency of the device, generate Al-O-Cs compounds, reduce the series resistance of the battery, and improve the short-circuit current and photoelectric conversion efficiency of the solar cell, and Due to the compactness of the cesium carbonate layer itself, the stability of the device has also been significantly improved. The strong metallic n-type heavy doping effect of cesium in cesium carbonate, the Al/CsCO cathode modified with cesium carbonate nano-interface can greatly increase the injection of electrons, and significantly improve the performance of the inverted top-emitting structure OLED device. Cesium carbonate is also used as a catalyst for the synthesis of alkyl aryl ethers.
[Preparation]

The method of preparing cesium carbonate using cesium alum as a raw material :1. To recrystallize cesium alum, add cesium alum in deionized water and heat to dissolve, after dissolving, cool to crystallize and filter, and obtain refined cesium alum after filtering;2. Transformation, add refined cesium alum in deionized water and heat to dissolve, obtain refined cesium alum solution after dissolving, slowly drip lime milk into refined cesium alum solution, and obtain cesium sulfate net solution after solid-liquid separation;3. Causticizing, the barium hydroxide solution is added to the cesium sulfate clean liquid in 2 to 3 times, and the barium sulfate solid and the causticizing liquid are obtained by centrifugal separation;4. Carbonization, concentration and evaporation, pass CO into the causticizing solution for carbonization, carbonize until the pH of the carbonization solution is 7 to 10, stand still, concentrate the carbonization supernatant after standing, and obtain a concentrated solution after cooling;5. Once fine filtration and drying, the concentrated liquid is filtered with a polymer filter device, the filtered filtrate is concentrated and crystallized and dried at low temperature to obtain a low-temperature material;6. High temperature decomposition, after high temperature decomposition of low temperature material, high temperature material is obtained;7. Secondary fine filtration, the high temperature material is dissolved in deionized water, and then filtered with a polymer filter device, and the filtered liquid is obtained after filtration;8. The clean liquid is concentrated and dried, and the filtered clean liquid is concentrated and dried to obtain cesium carbonate.
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Health Hazard (GHS08)
GHS05,GHS08
[Signal word ]

Danger
[Hazard statements ]

H318-H361f-H373
[Precautionary statements ]

P201-P202-P260-P280-P305+P351+P338-P308+P313
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R68:Possible risk of irreversible effects.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
[WGK Germany ]

2
[RTECS ]

FK9400000
[F ]

3-10
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

28369918
[Storage Class]

13 - Non Combustible Solids
[Hazard Classifications]

Eye Dam. 1
Repr. 2
STOT RE 2 Oral
[Safety Profile]

Moderately toxic by ingestion. Mutation data reported. When heated to decomposition it emits acrid smoke and fumes. See also CESIUM.
Raw materials And Preparation ProductsBack Directory
[Raw materials]

CESIUM OXALATE-->Cesium hydroxide-->Carbon dioxide-->Carbon monoxide
[Preparation Products]

3-(Trifluoromethyl)-1-phenyl-1H-pyrazole-4-carbonitrile-->3-(Trifluoromethyl)-1-phenyl-1H-pyrazole-4-carboxamide-->(3-(Trifluoromethyl)-1-phenyl-1H-pyrazol-4-yl)methanamine-->3-(Trifluoromethyl)-1-phenyl-1H-pyrazole-4-carbaldehyde-->3-(Trifluoromethyl)-1-phenyl-1H-pyrazol-4-amine-->(3-(Trifluoromethyl)-1-phenyl-1H-pyrazol-4-yl)methanol-->2-Chloroquinoline-->Ethyl 3-(trifluoromethyl)-1-phenyl-1H-pyrazole-4-carboxylate-->3-(Trifluoromethyl)-1-phenyl-1H-pyrazole-4-carboxylic acid-->1-(1H-pyrazol-1-yl)propan-2-amine-->3-(Trifluoromethyl)-1-phenyl-1H-pyrazole-5-carboxylic acid-->4-Bromo-3-(trifluoromethyl)-1-phenyl-1H-pyrazole-->1-(4-Pyridyl)piperazine-->3-Pyridin-4-yl-benzoic acid-->1-Phenyl-3-(trifluoromethyl)pyrazole-->3-(4-Methylphenyl)benzaldehyde-->Boc-3-iodo-D-alanine benzyl ester-->3-Morpholinobenzaldehyde-->4-Chlorophenoxyacetyl chloride-->5-Phenylthiophene-2-carboxylic acid-->6-Iodo-5-methoxy-2-pyridinecarboxylic acid-->4-(2-Chloro-6-fluorobenzyloxy)benzaldehyde-->5-Phenyl-2-thiophenecarbaldehyde-->2-[(2,6-Dichlorobenzyl)oxy]-5-nitrobenzaldehyde-->4-[(3,4-Dichlorobenzyl)oxy]benzaldehyde-->4-[(2-Chloro-6-fluorobenzyl)oxy]-3-methoxybenzaldehyde-->1-Phenylimidazole
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Cesium carbonate (534-17-8).msds
Hazard InformationBack Directory
[Chemical Properties]

Colourless crystals or white powder
[Application]

Cesium carbonate is widely utilized as a precursor for other cesium compounds. It acts as a base in sensitive organic reactions. It can be used as a base in C-C and C-N cross-coupling reactions such as Suzuki?Miyaura, Heck, and Buchwald-Hartwig amination reactions. It finds use in solar cells as it increases the power conversion efficiency of cells through the transfer of electrons. It is also used in the production of special optical glasses, petroleum catalytic additives, special ceramics and in the sulfuric acid industry. It is useful in the N-alkylation (of sulfonamides, beta-lactams, indoles, heterocycles and several sensitive nitrogen compounds), carbamination of amines, carbonylation of alcohols and aerobic oxidation of alcohols into carbonyl compounds without polymeric by products. Promotes the efficient O-alkylation of alcohols to form mixed alkyl carbonates.
[Reactions]

Many of the properties of cesium carbonate are due to the softness of the cesium cation. This softness makes cesium carbonate rather soluble in organic solvents such as alcohols, DMF and Et2O. This has rendered cesium carbonate useful in palladium chemistry, which is often carried out in non-aqueous media where insolubility of inorganic bases can limit reactivity. Cs2CO3 has, for example, been used with good results in Heck, Suzuki and Sonogashira reactions. Cesium carbonate has also received much attention for its use in O-alkylations, particularly of phenols.It has been postulated that O-alkylations of phenols using Cs2CO3 in non-aqueous solvents occurs via the ‘naked’ phenolate anion, which behaves as a strong nucleophile. Therefore, this methodology can even be applied to secondary halides, minimizing the usual unwanted side reactions such as elimination and decomposition.
[Reactivity Profile]

Inorganic bases include LiOt Bu, NaOt Bu, NaOAc, LiOH, NaOH, KOH, Na2CO3, K2CO3, Cs2CO3, ect. Organic bases include DBU and Et3N, etc. Cesium carbonate has a similar basicity with DBU. Due to the poor solubility of most inorganic bases in organic solvents and the aggregation between metal ions and solvent molecules, which may cause some side-effect to the basicity of bases. The solubility of metal carbonate in dipole aprotic solvents is shown below.
The solubility of Cesium carbonate in dipole aprotic solvents
In the transition metal catalytic organic reactions, different bases were chosen in the palladium catalyzed reaction system, leading to a sharp change in reaction yields. In the direct carboxylation of indole mediated by LiOt Bu. Cs2CO3 as a strong base enhanced reaction yield dramatically, while K2CO3 as a weak base can only generate very little carboxyl products. The most commonly used bases in Suzuki reactions are Na2CO3, Cs2CO3, potassium acetate, potassium phosphate etc[1]. The reactive order of alkali carbonates are as follows: Cs2CO3 > K2CO3 > Na2CO3 > Li2CO3. Caesium carbonate facilitates the N-alkylation of compounds such as sulfonamides, amines, β-lactams, indoles, heterocyclic compounds, N-substituted aromatic imides, phthalimides, and other similar compounds.
[General Description]

Cesium carbonate is a powerful inorganic base widely used in organic synthesis. It is a potential chemoselective catalyst for the reduction of aldehydes and ketones to alcohols. It is employed as base for the Heck coupling reaction of 4-trifluoromethyl-1-chlorobenzene and aryl chlorides.
[Hazard]

Cesium carbonate is a danger compound.
H315: Causes skin irritation
H318: Causes serious eye damage
H335: May cause respiratory irritation
H361: Suspected of damaging fertility or the unborn child
H373: May cause damage to organs through prolonged or repeated exposure
[Flammability and Explosibility]

Nonflammable
[Purification Methods]

Crystallise it from ethanol (10mL/g) by partial evaporation. [D.nges in Handbook of Preparative Inorganic Chemistry (Ed. Brauer) Academic Press Vol I p 988 1963.]
[References]

[1] Guo L, et al. Applications of Bases in Transition Metal Catalyzed Reactions Zhao Yuan. Chemistry - A European Journal, 2018; 24: 7794-7809.
Spectrum DetailBack Directory
[Spectrum Detail]

Cesium carbonate(534-17-8)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Cesium carbonate, for analysis, 99.5%(534-17-8)
[Alfa Aesar]

Cesium carbonate, Puratronic, 99.994% (metals basis)(534-17-8)
[Sigma Aldrich]

534-17-8(sigmaaldrich)
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