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molecular formula BaCl2 B8815432 Barium(2+) dichloride

Barium(2+) dichloride

Cat. No. B8815432
M. Wt: 208.23 g/mol
InChI Key: WDIHJSXYQDMJHN-UHFFFAOYSA-L
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Patent
US05262148

Procedure details

Aqueous solutions of barium chloride (0.008 mol/1) and sulfuric acid (0.005 mol/1) were prepared by dissolving 1.974 gm of barium chloride (special reagent grade) and 0.505 gm of sulfuric acid (special reagent grade) into 1,000 gm of ion-exchanged water. Each solution was heated at 70° C. The barium chloride solution was added dropwise over a period of 10 minutes to the sulfuric acid solution, while the latter was stirred at 1,000 rpm by a U-shaped blade. After the addition, the mixture was stirred for a further 3 minutes to complete the reaction. The mixture was kept at pH 3.5 during the reaction. After cooling to the room temperature, the reaction mixture was filtered through a 5C filter paper, washed with water, and dried at 105° C. for 2 hours to obtain 1.12 gm of barium sulfate powder.
Quantity
1.974 g
Type
reactant
Reaction Step One
Quantity
0.505 g
Type
reactant
Reaction Step One
[Compound]
Name
ion-exchanged
Quantity
0 (± 1) mol
Type
reactant
Reaction Step One
Name
Quantity
0 (± 1) mol
Type
solvent
Reaction Step One
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Two
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Two
Name
barium chloride
Name
sulfuric acid
Name
barium sulfate

Identifiers

REACTION_CXSMILES
[Cl-:1].[Ba+2:2].[Cl-].[S:4](=[O:8])(=[O:7])([OH:6])[OH:5]>O>[Cl-:1].[Ba+2:2].[Cl-:1].[S:4](=[O:6])(=[O:5])([OH:8])[OH:7].[S:4]([O-:8])([O-:7])(=[O:6])=[O:5].[Ba+2:2] |f:0.1.2,5.6.7,9.10|

Inputs

Step One
Name
Quantity
1.974 g
Type
reactant
Smiles
[Cl-].[Ba+2].[Cl-]
Name
Quantity
0.505 g
Type
reactant
Smiles
S(O)(O)(=O)=O
Name
ion-exchanged
Quantity
0 (± 1) mol
Type
reactant
Smiles
Name
Quantity
0 (± 1) mol
Type
solvent
Smiles
O
Step Two
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
[Cl-].[Ba+2].[Cl-]
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
S(O)(O)(=O)=O

Conditions

Temperature
Control Type
UNSPECIFIED
Setpoint
70 °C
Stirring
Type
CUSTOM
Details
was stirred at 1,000 rpm by a U-shaped blade
Rate
UNSPECIFIED
RPM
0
Other
Conditions are dynamic
1
Details
See reaction.notes.procedure_details.

Workups

ADDITION
Type
ADDITION
Details
After the addition
STIRRING
Type
STIRRING
Details
the mixture was stirred for a further 3 minutes
Duration
3 min
CUSTOM
Type
CUSTOM
Details
the reaction
CUSTOM
Type
CUSTOM
Details
The mixture was kept at pH 3.5 during the reaction
TEMPERATURE
Type
TEMPERATURE
Details
After cooling to the room temperature
FILTRATION
Type
FILTRATION
Details
the reaction mixture was filtered through a 5C
FILTRATION
Type
FILTRATION
Details
filter paper
WASH
Type
WASH
Details
washed with water
CUSTOM
Type
CUSTOM
Details
dried at 105° C. for 2 hours
Duration
2 h

Outcomes

Product
Name
barium chloride
Type
product
Smiles
[Cl-].[Ba+2].[Cl-]
Measurements
Type Value Analysis
AMOUNT: AMOUNT 0.008 mol
Name
sulfuric acid
Type
product
Smiles
S(O)(O)(=O)=O
Measurements
Type Value Analysis
AMOUNT: AMOUNT 0.005 mol
Name
barium sulfate
Type
product
Smiles
S(=O)(=O)([O-])[O-].[Ba+2]
Measurements
Type Value Analysis
AMOUNT: MASS 1.12 g

Source

Source
Open Reaction Database (ORD)
Description
The Open Reaction Database (ORD) is an open-access schema and infrastructure for structuring and sharing organic reaction data, including a centralized data repository. The ORD schema supports conventional and emerging technologies, from benchtop reactions to automated high-throughput experiments and flow chemistry. Our vision is that a consistent data representation and infrastructure to support data sharing will enable downstream applications that will greatly improve the state of the art with respect to computer-aided synthesis planning, reaction prediction, and other predictive chemistry tasks.
Patent
US05262148

Procedure details

Aqueous solutions of barium chloride (0.008 mol/1) and sulfuric acid (0.005 mol/1) were prepared by dissolving 1.974 gm of barium chloride (special reagent grade) and 0.505 gm of sulfuric acid (special reagent grade) into 1,000 gm of ion-exchanged water. Each solution was heated at 70° C. The barium chloride solution was added dropwise over a period of 10 minutes to the sulfuric acid solution, while the latter was stirred at 1,000 rpm by a U-shaped blade. After the addition, the mixture was stirred for a further 3 minutes to complete the reaction. The mixture was kept at pH 3.5 during the reaction. After cooling to the room temperature, the reaction mixture was filtered through a 5C filter paper, washed with water, and dried at 105° C. for 2 hours to obtain 1.12 gm of barium sulfate powder.
Quantity
1.974 g
Type
reactant
Reaction Step One
Quantity
0.505 g
Type
reactant
Reaction Step One
[Compound]
Name
ion-exchanged
Quantity
0 (± 1) mol
Type
reactant
Reaction Step One
Name
Quantity
0 (± 1) mol
Type
solvent
Reaction Step One
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Two
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Two
Name
barium chloride
Name
sulfuric acid
Name
barium sulfate

Identifiers

REACTION_CXSMILES
[Cl-:1].[Ba+2:2].[Cl-].[S:4](=[O:8])(=[O:7])([OH:6])[OH:5]>O>[Cl-:1].[Ba+2:2].[Cl-:1].[S:4](=[O:6])(=[O:5])([OH:8])[OH:7].[S:4]([O-:8])([O-:7])(=[O:6])=[O:5].[Ba+2:2] |f:0.1.2,5.6.7,9.10|

Inputs

Step One
Name
Quantity
1.974 g
Type
reactant
Smiles
[Cl-].[Ba+2].[Cl-]
Name
Quantity
0.505 g
Type
reactant
Smiles
S(O)(O)(=O)=O
Name
ion-exchanged
Quantity
0 (± 1) mol
Type
reactant
Smiles
Name
Quantity
0 (± 1) mol
Type
solvent
Smiles
O
Step Two
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
[Cl-].[Ba+2].[Cl-]
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
S(O)(O)(=O)=O

Conditions

Temperature
Control Type
UNSPECIFIED
Setpoint
70 °C
Stirring
Type
CUSTOM
Details
was stirred at 1,000 rpm by a U-shaped blade
Rate
UNSPECIFIED
RPM
0
Other
Conditions are dynamic
1
Details
See reaction.notes.procedure_details.

Workups

ADDITION
Type
ADDITION
Details
After the addition
STIRRING
Type
STIRRING
Details
the mixture was stirred for a further 3 minutes
Duration
3 min
CUSTOM
Type
CUSTOM
Details
the reaction
CUSTOM
Type
CUSTOM
Details
The mixture was kept at pH 3.5 during the reaction
TEMPERATURE
Type
TEMPERATURE
Details
After cooling to the room temperature
FILTRATION
Type
FILTRATION
Details
the reaction mixture was filtered through a 5C
FILTRATION
Type
FILTRATION
Details
filter paper
WASH
Type
WASH
Details
washed with water
CUSTOM
Type
CUSTOM
Details
dried at 105° C. for 2 hours
Duration
2 h

Outcomes

Product
Name
barium chloride
Type
product
Smiles
[Cl-].[Ba+2].[Cl-]
Measurements
Type Value Analysis
AMOUNT: AMOUNT 0.008 mol
Name
sulfuric acid
Type
product
Smiles
S(O)(O)(=O)=O
Measurements
Type Value Analysis
AMOUNT: AMOUNT 0.005 mol
Name
barium sulfate
Type
product
Smiles
S(=O)(=O)([O-])[O-].[Ba+2]
Measurements
Type Value Analysis
AMOUNT: MASS 1.12 g

Source

Source
Open Reaction Database (ORD)
Description
The Open Reaction Database (ORD) is an open-access schema and infrastructure for structuring and sharing organic reaction data, including a centralized data repository. The ORD schema supports conventional and emerging technologies, from benchtop reactions to automated high-throughput experiments and flow chemistry. Our vision is that a consistent data representation and infrastructure to support data sharing will enable downstream applications that will greatly improve the state of the art with respect to computer-aided synthesis planning, reaction prediction, and other predictive chemistry tasks.
Patent
US05262148

Procedure details

Aqueous solutions of barium chloride (0.008 mol/1) and sulfuric acid (0.005 mol/1) were prepared by dissolving 1.974 gm of barium chloride (special reagent grade) and 0.505 gm of sulfuric acid (special reagent grade) into 1,000 gm of ion-exchanged water. Each solution was heated at 70° C. The barium chloride solution was added dropwise over a period of 10 minutes to the sulfuric acid solution, while the latter was stirred at 1,000 rpm by a U-shaped blade. After the addition, the mixture was stirred for a further 3 minutes to complete the reaction. The mixture was kept at pH 3.5 during the reaction. After cooling to the room temperature, the reaction mixture was filtered through a 5C filter paper, washed with water, and dried at 105° C. for 2 hours to obtain 1.12 gm of barium sulfate powder.
Quantity
1.974 g
Type
reactant
Reaction Step One
Quantity
0.505 g
Type
reactant
Reaction Step One
[Compound]
Name
ion-exchanged
Quantity
0 (± 1) mol
Type
reactant
Reaction Step One
Name
Quantity
0 (± 1) mol
Type
solvent
Reaction Step One
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Two
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Two

Identifiers

REACTION_CXSMILES
[Cl-:1].[Ba+2:2].[Cl-].[S:4](=[O:8])(=[O:7])([OH:6])[OH:5]>O>[Cl-:1].[Ba+2:2].[Cl-:1].[S:4](=[O:6])(=[O:5])([OH:8])[OH:7].[S:4]([O-:8])([O-:7])(=[O:6])=[O:5].[Ba+2:2] |f:0.1.2,5.6.7,9.10|

Inputs

Step One
Name
Quantity
1.974 g
Type
reactant
Smiles
[Cl-].[Ba+2].[Cl-]
Name
Quantity
0.505 g
Type
reactant
Smiles
S(O)(O)(=O)=O
Name
ion-exchanged
Quantity
0 (± 1) mol
Type
reactant
Smiles
Name
Quantity
0 (± 1) mol
Type
solvent
Smiles
O
Step Two
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
[Cl-].[Ba+2].[Cl-]
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
S(O)(O)(=O)=O

Conditions

Temperature
Control Type
UNSPECIFIED
Setpoint
70 °C
Stirring
Type
CUSTOM
Details
was stirred at 1,000 rpm by a U-shaped blade
Rate
UNSPECIFIED
RPM
0
Other
Conditions are dynamic
1
Details
See reaction.notes.procedure_details.

Workups

ADDITION
Type
ADDITION
Details
After the addition
STIRRING
Type
STIRRING
Details
the mixture was stirred for a further 3 minutes
Duration
3 min
CUSTOM
Type
CUSTOM
Details
the reaction
CUSTOM
Type
CUSTOM
Details
The mixture was kept at pH 3.5 during the reaction
TEMPERATURE
Type
TEMPERATURE
Details
After cooling to the room temperature
FILTRATION
Type
FILTRATION
Details
the reaction mixture was filtered through a 5C
FILTRATION
Type
FILTRATION
Details
filter paper
WASH
Type
WASH
Details
washed with water
CUSTOM
Type
CUSTOM
Details
dried at 105° C. for 2 hours
Duration
2 h

Outcomes

Product
Name
Type
product
Smiles
[Cl-].[Ba+2].[Cl-]
Measurements
Type Value Analysis
AMOUNT: AMOUNT 0.008 mol
Name
Type
product
Smiles
S(O)(O)(=O)=O
Measurements
Type Value Analysis
AMOUNT: AMOUNT 0.005 mol
Name
Type
product
Smiles
S(=O)(=O)([O-])[O-].[Ba+2]
Measurements
Type Value Analysis
AMOUNT: MASS 1.12 g

Source

Source
Open Reaction Database (ORD)
Description
The Open Reaction Database (ORD) is an open-access schema and infrastructure for structuring and sharing organic reaction data, including a centralized data repository. The ORD schema supports conventional and emerging technologies, from benchtop reactions to automated high-throughput experiments and flow chemistry. Our vision is that a consistent data representation and infrastructure to support data sharing will enable downstream applications that will greatly improve the state of the art with respect to computer-aided synthesis planning, reaction prediction, and other predictive chemistry tasks.
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