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543-80-6

Basic Information
CAS No.: 543-80-6
Name: Barium acetate
Article Data: 16
Molecular Structure:
Molecular Structure of 543-80-6 (Barium acetate)
Formula: C4H8BaO4
Molecular Weight: 255.419
Synonyms: Aceticacid, barium salt (8CI,9CI);Barium acetate (6CI);Barium diacetate;Barium(II)acetate;
EINECS: 208-849-0
Density: 2.46 g/cm3
Melting Point: 450 °C
Boiling Point: 117.1 °C at 760 mmHg
Flash Point: 40 °C
Solubility: Soluble in water
Appearance: White crystalline powder
Hazard Symbols: HarmfulXn
Risk Codes: 20/22
Safety: 28
PSA: 37.30000
LogP: 0.09090
Synthetic route
64-19-7

acetic acid

barium carbonate

543-80-6

barium(II) acetate

Conditions
ConditionsYield
In water at 20 - 110℃; Temperature;98.5%
In acetic acid byproducts: CO2; neutralizing of BaCO3 with a minimum amt. of glacial acetic acid, boiling; not isolated;
26391-36-6

4-oxobutan-2-yl acetate

barium hydroxide

barium hydroxide

543-80-6

barium(II) acetate

(N-ethoxy-benzimidic acid )-acetic acid-anhydride

concentrated aq. barium hydroxide solution

concentrated aq. barium hydroxide solution

A

22509-51-9

O-ethyl benzoylhydroxamic acid

B

543-80-6

barium(II) acetate

Conditions
ConditionsYield
substance of Lossen and Neumann;
62-54-4

calcium acetate

barium carbonate

543-80-6

barium(II) acetate

Conditions
ConditionsYield
In not given 12 h at 170°C; without or in presence of CO2;
64-19-7

acetic acid

barium(II) hydroxide

543-80-6

barium(II) acetate

Conditions
ConditionsYield
In water CH3COOH:Ba(OH)2=2.25:0.98 (molar ratio);
In water to Ba(OH)2 added excess acetic acid;
With diammonium sulfide; oxalic acid; pyrographite In water at 80 - 90℃; for 0.166667h;

barium(II) nitrate

108-24-7

acetic anhydride

543-80-6

barium(II) acetate

Conditions
ConditionsYield
boiling;
With water boiling;
With water boiling;
boiling;

barium acetate trihydrate

543-80-6

barium(II) acetate

Conditions
ConditionsYield
In neat (no solvent) byproducts: D2O; dehydration at 313-418 K;
Conditions
ConditionsYield
In ethanol 42.4°C (or 40.3°C in 96% alc.); detected on the basis of conductivity of soln.;
41°C;
42.2°C;

barium acetate monohydrate

543-80-6

barium(II) acetate

Conditions
ConditionsYield
In neat (no solvent) byproducts: D2O; two step dehydration;

trans-barium acetatodioxalatoaquochromate(III) *7H2O

trans-barium dioxalatodiaquochromate(III) *12H2O

B

543-80-6

barium(II) acetate

Conditions
ConditionsYield
In water decompn.;;
In water decompn.;;
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    99.0% Barium Acetate 543-80-6Appearance:White crystallization powder Storage:RT. Package:25kgs in PE/PP bags or paper drum, 500/1000kgs in PP bags, 200kgs in metal drum or per clint's requirement. Application:Serves as the analytical reagent, the sul

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Consensus Reports

Reported in EPA TSCA Inventory. Barium and its compounds are on the Community Right-To-Know List.

Standards and Recommendations

OSHA PEL: TWA 0.5 mg(Ba)/m3
ACGIH TLV: TWA 0.5 mg(Ba)/m3; Not Classifiable as a Human Carcinogen
DFG MAK: 0.5 mg(Ba)/m3

Specification

The Barium acetate, with the CAS registry number 543-80-6 and EINECS registry number 208-849-0, has the systematic name of barium diacetate. It is a kind of whitepowder, and belongs to the following product categories: Industrial/Fine Chemicals; Inorganic Chemicals; Organic-metal salt; A-B, Puriss p.a. ACSSynthetic Reagents; Analytical Reagents for General Use; Puriss p.a. ACS; BariumMicro/Nanoelectronics; Barium; Inorganic Salts; Solution Deposition Precursors; Synthetic Reagents; ACS GradeSynthetic Reagents; Essential Chemicals; Routine Reagents. And the molecular formula of this chemical is C4H8BaO4.

The Barium acetate is the salt of barium(II) and acetic acid, and it is highly soluble: 55.8 g of barium acetate can be dissolved in 100g of water at 0 °C. Barium acetate decomposes upon heating into barium carbonate. And when reacts with acids, such as sulfuric acid, hydrochloric acid and nitric acid, the reaction give the sulfate, chloride and nitrate respectively.

The physical properties of Barium acetate are as followings: (1)ACD/LogP: -0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.07; (4)ACD/LogD (pH 7.4): -2.86; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.73; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 37.3 Å2; (13)Flash Point: 40 °C; (14)Enthalpy of Vaporization: 23.7 kJ/mol; (15)Boiling Point: 117.1 °C at 760 mmHg; (16)Vapour Pressure: 13.9 mmHg at 25°C.

Preparation: It is generally produced by the reaction of acetic acid with barium carbonate. And the reaction is performed in solution and the barium acetate crystallizes out.
BaCO3 + 2CH3COOH → (CH3COO)2Ba + CO2 + H2O

Uses of Barium acetate: It is usually used as a mordant for printing textile fabrics, for drying paints and varnishes and in lubricating oil. What's more, it is also used in the preparation of other acetates, and as a catalyst in organic synthesis in chemistry.

You should be cautious while dealing with this chemical. It is harmful by inhalation and if swallowed. Therefore, you had better take the instruction: After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer).

You can still convert the following datas into molecular structure:
(1)SMILES: [Ba+2].[O-]C(=O)C.[O-]C(=O)C
(2)InChI: InChI=1/2C2H4O2.Ba/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
(3)InChIKey: ITHZDDVSAWDQPZ-NUQVWONBAA

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 21mg/kg (21mg/kg)   Toxicology and Applied Pharmacology. Vol. 22, Pg. 150, 1972.
rabbit LDLo intravenous 12mg/kg (12mg/kg)   Environmental Quality and Safety, Supplement. Vol. 1, Pg. 1, 1975.
rabbit LDLo oral 236mg/kg (236mg/kg)   Environmental Quality and Safety, Supplement. Vol. 1, Pg. 1, 1975.
rabbit LDLo subcutaneous 96mg/kg (96mg/kg)   Environmental Quality and Safety, Supplement. Vol. 1, Pg. 1, 1975.
rat LD50 oral 921mg/kg (921mg/kg)   Personal Communication from J.V. Marhold, VUOS, 539-18, Pardubice, Czechoslavakia, Mar. 29, 1977Vol. 29MAR1977,