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CAS No.: | 516-02-9 |
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Name: | Barium oxalate |
Article Data: | 78 |
Molecular Structure: | |
Formula: | BaC2O4 |
Molecular Weight: | 225.35 |
Synonyms: | Bariumoxalate (6CI,7CI);Oxalic acid, barium salt (1:1) (8CI);Barium oxalate (1:1);Barium oxalate (BaC2O4); |
EINECS: | 208-216-9 |
Density: | 2.66 g/mL at 25 °C(lit.) |
Melting Point: | 400 °C (dec.)(lit.) |
Boiling Point: | 365.1 °C at 760 mmHg |
Flash Point: | 188.8 °C |
Solubility: | soluble in water |
Appearance: | white powder |
Hazard Symbols: | Xn |
Risk Codes: | 20/22-320/22 |
Safety: | 28 |
Transport Information: | UN 1564 6.1/PG 3 |
PSA: | 52.60000 |
LogP: | -0.99860 |
Conditions | Yield |
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In neat (no solvent) treatment of Ba amalgam with CO2 at ambient temp., complete exclusion of O2 and atmospheric moisture;; | 52.04% |
In neat (no solvent) treatment of Ba amalgam with CO2 at ambient temp., complete exclusion of O2 and atmospheric moisture;; | 52.04% |
Conditions | Yield |
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With Ba-amalgam | 52% |
Conditions | Yield |
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With BAS |
Conditions | Yield |
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at 140 - 150℃; |
Conditions | Yield |
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In not given effect of 0.1 M-Na2C2O4-solution on BaCO3 at 16-18°C for 2 h forms an equilibrium under formation of BaC2O4 and CO3(2-); examination of the equilibrium dependent on time;; |
barium oxalate
Conditions | Yield |
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With oxalic acid In methanol pptn.; | |
With oxalic acid In methanol pptn.; |
Conditions | Yield |
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In not given mixing of Ba(OH)2-solution with dild. oxalic acid-solution forms BaC2O4; crystallisation after 5 min.; examination of the reaction;; | |
In water titration of Ba(OH)2-solution with oxalic acid in aq. solution pptn. BaC2O4; examination of the decrease of the electric conductivity of the reaction solution;; | |
In water Ba(OH)2:HOOCCOOH=0.98:1.125 (molar ratio); |
barium oxalate
Conditions | Yield |
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140-150°C; | |
140-150°C; | |
In neat (no solvent, solid phase) byproducts: H2O; dehydrated in a N2 stream in a tube furnace; |
Conditions | Yield |
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In water partly decompn.;; | |
In water partly decompn.;; |
The Ethanedioic acid,barium salt (1:1), with CAS registry number 516-02-9, has the systematic name of barium ethanedioate. This chemical is a kind of white powder. And this chemical should be stored in cool, dry place in tightly. And you should ensure good ventilation/exhaustion at the workplace. The main use of this chemical is for manufacturing of fireworks.
Physical properties of Ethanedioic acid,barium salt (1:1): (1)ACD/LogP: -1.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.7; (4)ACD/LogD (pH 7.4): -5.94; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 74.6 Å2; (13)Enthalpy of Vaporization: 67.15 kJ/mol; (14)Vapour Pressure: 2.51E-06 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Ethanedioic acid,barium salt (1:1) is harmful by inhalation and if swallowed. In case of insufficient ventilation, wear suitable respiratory equipment.
You can still convert the following datas into molecular structure:
(1)SMILES: [Ba+2].[O-]C(=O)C([O-])=O
(2)InChI: InChI=1/C2H2O4.Ba/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2
(3)InChIKey: GXUARMXARIJAFV-NUQVWONBAK
(4)Std. InChI: InChI=1S/C2H2O4.Ba/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2
(5)Std. InChIKey: GXUARMXARIJAFV-UHFFFAOYSA-L