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Cesium acetate

Cesium acetate structure

CAS No:
3396-11-0
Formula:
C2H4O2.Cs
Chemical Name:
Cesium acetate
Synonyms:
Acetic acid,cesium salt (1:1);Acetic acid,cesium salt;Cesium acetate
Categories:
Organic Chemistry > Organometalate

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Description

White crystalline powder

Cesium acetate Basic Attributes

Molecular Weight：

191.95

Exact Mass：

191.918747

EC Number：

222-248-0

HScode：

2915299090

Characteristics

PSA：

40.1

XLogP3：

-1.24380

Appearance：

White Powder

Melting Point：

190-195 °C

Boiling Point：

117.1°C at 760 mmHg

Flash Point：

40ºC

Water Solubility：

soluble in water, DMSO.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

22-24/25

Stability/Shelf Life：

hygroscopic

Precautionary statement(s)：

P201, P202, P260, P261, P264, P270, P271, P280, P281, P301+P312, P304+P340, P305+P351+P338, P308+P313, P312, P314, P330, P337+P313, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

Not Classified

Cesium acetate Use and Manufacturing

Methods of Manufacturing

To a 1-litre round-bottomed flask we added the 2-furoic acid (100 mmol, 11.21 g, 1.0equiv.) and Cs2CO3 (125 mmol, 40.73 g, 1.25 equiv.) followed by 100 ml of deionized H2O. The addition of water results in an acid–base reaction that liberates CO2. (Caution: this reaction is exothermic and effervescent.) Once the reaction was complete, the water was removed in vacuum on a rotary evaporator (rotovap) at 75 °C and at 100 mTorr and 230 °C. The resulting off-white solid was scrapedand ground into a fine white powder. In a fume hood, a reactor was assembled consisting of a rotovap with P2O5 in the collection flask connected to a Schlenk line and a eutectic salt bath (48.7 molpercent NaNO3, 51.3 molpercent KNO3). The eutectic salt bath was heated to 260 °C, and the 1-litre round-bottomed flask containing the caesium furan-2-carboxylate and Cs2CO3 was attached to the rotovap. The joint was taped with black electrical tape and fitted with a green Keck clip, and the entire apparatus was the backfilled with CO2 gas. A short piece of tubing was connected in such a way as to deliver a slow stream of cooling air to the taped joint to prevent melting. The reaction was then dipped into the eutectic salt bath and rotated slowly for 48 h with a gentle flow of CO2 through the bubbler of the Schlenk line. Over the course of the reaction, the solid initially melts, then turns blackish-brown and solidifies. Once complete, the reaction was slowly cooled to room temperature and detached from the rotovap. Disodium tartrate dihydrate (10 mmol, 2.31 g, 0.1 equiv.) was added followed by 200 ml of deionized water. An aliquot of the resulting solution was evaporated in vacuum then dissolved in D2O. A 1H NMR was obtained with the following distribution of products: caesium furan-2, 5-dicarboxylate (71percent), caesium malonate (2percent), and caesiumacetate (11percent) (NMR yields). A repeat of the experiment gave the following distribution: caesium furan-2, 5-dicarboxylate (69percent), caesium malonate (7percent), andcaesium acetate (8percent).

Manufacturing Info：

Acetic acid, cesium salt (1:1): ACTIVE

Computed Properties

Molecular Weight:191.95
Hydrogen Bond Acceptor Count:2
Exact Mass:191.91875629
Monoisotopic Mass:191.91875629
Topological Polar Surface Area:40.1
Heavy Atom Count:5
Complexity:34.6
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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