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Cas Database

Name	Cesium formate	EINECS	222-492-8
CAS No.	3495-36-1	Density	1.017 [CRC10]
PSA	40.13000	LogP	-0.99800
Solubility	very soluble H2O [CRC10]	Melting Point	50 °C
Formula	CHCsO₂	Boiling Point	100.6oC at 760mmHg
Molecular Weight	177.923	Flash Point	29.9oC
Transport Information	N/A	Appearance	granular solid
Safety	22-24/25-36/37/39-26	Risk Codes	36/37/38
Molecular Structure		Hazard Symbols	Xi
Synonyms	Cesiumformate (7CI);Formic acid, cesium salt (8CI,9CI);	Article Data	25

Cesium formate Synthetic route

: 67-56-1
methanol

: 124-38-9
carbon dioxide

: 201230-82-2
carbon monoxide

: 534-17-8
caesium carbonate

A: 553-90-2
Dimethyl oxalate

B: 15519-28-5
cesium bicarbonate

C: 3495-36-1
cesium formate

Conditions

Conditions	Yield
Stage #1: carbon dioxide; carbon monoxide; caesium carbonate With silica gel; pyrographite at 325℃; under 15001.5 - 33753.4 Torr; Stage #2: methanol at 200℃; under 30003 Torr; for 2h; Reagent/catalyst; Temperature; Pressure;	A 95% B n/a C 0.8%

...Expand

: 64-18-6
formic acid

: 3495-36-1
cesium formate

Conditions

Conditions	Yield
With cesium hydroxide In water	80%

: 67-56-1
methanol

: 124-38-9
carbon dioxide

: 534-17-8
caesium carbonate

A: 553-90-2
Dimethyl oxalate

B: 3495-36-1
cesium formate

Conditions

Conditions	Yield
Stage #1: carbon dioxide; caesium carbonate With hydrogen at 325℃; under 750.075 Torr; Stage #2: methanol at 150℃; under 26252.6 Torr;	A 58% B 10%

: 124-38-9
carbon dioxide

: 534-17-8
caesium carbonate

A: 15519-28-5
cesium bicarbonate

B: 1068-63-9
cesium oxalate

C: 3495-36-1
cesium formate

Conditions

Conditions	Yield
In neat (no solvent) High Pressure; 2 h at 380°C; cooling, dissolution in water, addn. of HClO4; HPLC;	A 39.2% B 0% C 0%

: 124-38-9
carbon dioxide

: 201230-82-2
carbon monoxide

: 534-17-8
caesium carbonate

A: 15519-28-5
cesium bicarbonate

B: 1068-63-9
cesium oxalate

C: 3495-36-1
cesium formate

Conditions

Conditions	Yield
In neat (no solvent) High Pressure; 2 h at 380°C; cooling, dissolution in water, addn. of HClO4; HPLC;	A 0.1% B 22.4% C 2.1%

...Expand

: 201230-82-2
carbon monoxide

: 534-17-8
caesium carbonate

A: 15519-28-5
cesium bicarbonate

B: 1068-63-9
cesium oxalate

C: 3495-36-1
cesium formate

Conditions

Conditions	Yield
In neat (no solvent) High Pressure; 2 h at 380°C; cooling, dissolution in water, addn. of HClO4; HPLC;	A 0% B 4.4% C 6.9%

: C12H11N2O6(1-)*Cs(1+)

A: 124-38-9
carbon dioxide

B: 3495-36-1
cesium formate

C: Caesium; 2,4-dinitro-naphthalen-1-olate

Conditions

Conditions	Yield
at 141 - 164℃; Product distribution; Thermodynamic data; ΔH of the decomposition;

: 64-18-6
formic acid

: 534-17-8
caesium carbonate

: 3495-36-1
cesium formate

Conditions

Conditions	Yield
In neat (no solvent) purified Cs2CO3 was neutralized with formic acid forming CsHCO2;;
In neat (no solvent) Na-containing Cs2CO3 was treated with formic acid forming CsHCO2;; recrystn. from formic acid, remaining acid was removed with Cs2CO3, recrystn. from alcoholic soln. with addn. of ether;;
In neat (no solvent) Na-containing Cs2CO3 was treated with formic acid forming CsHCO2;; recrystn. from formic acid, remaining acid was removed with Cs2CO3, recrystn. from alcoholic soln. with addn. of ether;;

: caesium hydride

: 3495-36-1
cesium formate

Conditions

Conditions	Yield
With carbon dioxide reaction proceeds only in presence of traces of H2O; moist CO2 reacts at -75°C, well dried CO2 at +42°C;
With CO2 reaction proceeds only in presence of traces of H2O; moist CO2 reacts at -75°C, well dried CO2 at +42°C;

: caesium hydride

: 124-38-9
carbon dioxide

: 3495-36-1
cesium formate

Conditions

Conditions	Yield
With water In neat (no solvent) CsH was treated with CO2 at ambient temp. in presence of traces of water forming CsHCO2; in absence of moisture reaction occured only with heating to 54 °C;;
With H2O In neat (no solvent) CsH was treated with CO2 at ambient temp. in presence of traces of water forming CsHCO2; in absence of moisture reaction occured only with heating to 54 °C;;

Cesium formate Specification

The IUPAC name of Cesium formate is Cesium formic acid. With the CAS registry number 3495-36-1, it is also named as Formic acid, cesium salt. The product's category is metallorganics and it is hygroscopic. In addition, it is granular solid, which should be stored in closed, dark, ventilated and dry place at ambient temperature. Its molecular formula is CHCsO₂ and molecular weight is 177.92.

The other characteristics of this product can be summarized as: (1)EINECS: 222-492-8; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 2; (4)Rotatable Bond Count: 0; (5)Exact Mass: 178.910926; (6)MonoIsotopic Mass: 178.910926; (7)Topological Polar Surface Area: 37.3; (8)Heavy Atom Count: 4; (9)Formal Charge: 1; (10)Complexity: 10.3; (11)Melting Point: 50 °C; (12)Boiling Point: 100.6 °C at 760 mmHg; (13)Flash Point: 29.9 °C.

Uses of Cesium formate: it can reacts with 3-Epi-3-trifluoromethanesulfonyl-altholactone to get 3-Formyloxy-altholactone.

This reaction needs Dimethylformamide at temperature of 20 °C. The reaction time is 4 hours. The yield is 60 %.

When you are using this chemical, please be cautious about it as the following: Cesium formate is irritating to eyes, respiratory system and skin.When you use it, please wear suitable protective clothing, gloves and eye/face protection to avoid contact with skin and eyes, and do not breathe dust. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
SMILES:[Cs]OC=O
InChI:InChI=1/CH2O2.Cs/c2-1-3;/h1H,(H,2,3);/q;+1/p-1/rCHCsO2/c2-4-1-3/h1H
InChIKey:ATZQZZAXOPPAAQ-SQJYZGIVAT
Std. InChI:InChI=1S/CH2O2.Cs/c2-1-3;/h1H,(H,2,3);/q;+1/p-1
Std. InChIKey:ATZQZZAXOPPAAQ-UHFFFAOYSA-M

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