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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 (0.1 mol/1) and sulfuric acid (0.1 mol/1) were prepared by dissolving 24.675 gm of barium chloride (special reagent grade) and 10.100 gm of sulfuric acid (special reagent grade) into 1,000 gm of ion-exchanged water. The two solutions were heated at 30° C., followed by the reaction in the same manner as in Example 1 at pH 5.8 to obtain 19.5 gm of barium sulfate powder.
Quantity
24.675 g
Type
reactant
Reaction Step One
Quantity
10.1 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
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
24.675 g
Type
reactant
Smiles
[Cl-].[Ba+2].[Cl-]
Name
Quantity
10.1 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

Conditions

Temperature
Control Type
UNSPECIFIED
Setpoint
30 °C
Other
Conditions are dynamic
1
Details
See reaction.notes.procedure_details.

Workups

CUSTOM
Type
CUSTOM
Details
followed by the reaction in the same manner as in Example 1 at pH 5.8

Outcomes

Product
Name
barium chloride
Type
product
Smiles
[Cl-].[Ba+2].[Cl-]
Measurements
Type Value Analysis
AMOUNT: AMOUNT 0.1 mol
Name
sulfuric acid
Type
product
Smiles
S(O)(O)(=O)=O
Measurements
Type Value Analysis
AMOUNT: AMOUNT 0.1 mol
Name
barium sulfate
Type
product
Smiles
S(=O)(=O)([O-])[O-].[Ba+2]
Measurements
Type Value Analysis
AMOUNT: MASS 19.5 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 (0.1 mol/1) and sulfuric acid (0.1 mol/1) were prepared by dissolving 24.675 gm of barium chloride (special reagent grade) and 10.100 gm of sulfuric acid (special reagent grade) into 1,000 gm of ion-exchanged water. The two solutions were heated at 30° C., followed by the reaction in the same manner as in Example 1 at pH 5.8 to obtain 19.5 gm of barium sulfate powder.
Quantity
24.675 g
Type
reactant
Reaction Step One
Quantity
10.1 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
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
24.675 g
Type
reactant
Smiles
[Cl-].[Ba+2].[Cl-]
Name
Quantity
10.1 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

Conditions

Temperature
Control Type
UNSPECIFIED
Setpoint
30 °C
Other
Conditions are dynamic
1
Details
See reaction.notes.procedure_details.

Workups

CUSTOM
Type
CUSTOM
Details
followed by the reaction in the same manner as in Example 1 at pH 5.8

Outcomes

Product
Name
barium chloride
Type
product
Smiles
[Cl-].[Ba+2].[Cl-]
Measurements
Type Value Analysis
AMOUNT: AMOUNT 0.1 mol
Name
sulfuric acid
Type
product
Smiles
S(O)(O)(=O)=O
Measurements
Type Value Analysis
AMOUNT: AMOUNT 0.1 mol
Name
barium sulfate
Type
product
Smiles
S(=O)(=O)([O-])[O-].[Ba+2]
Measurements
Type Value Analysis
AMOUNT: MASS 19.5 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 (0.1 mol/1) and sulfuric acid (0.1 mol/1) were prepared by dissolving 24.675 gm of barium chloride (special reagent grade) and 10.100 gm of sulfuric acid (special reagent grade) into 1,000 gm of ion-exchanged water. The two solutions were heated at 30° C., followed by the reaction in the same manner as in Example 1 at pH 5.8 to obtain 19.5 gm of barium sulfate powder.
Quantity
24.675 g
Type
reactant
Reaction Step One
Quantity
10.1 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

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
24.675 g
Type
reactant
Smiles
[Cl-].[Ba+2].[Cl-]
Name
Quantity
10.1 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

Conditions

Temperature
Control Type
UNSPECIFIED
Setpoint
30 °C
Other
Conditions are dynamic
1
Details
See reaction.notes.procedure_details.

Workups

CUSTOM
Type
CUSTOM
Details
followed by the reaction in the same manner as in Example 1 at pH 5.8

Outcomes

Product
Name
Type
product
Smiles
[Cl-].[Ba+2].[Cl-]
Measurements
Type Value Analysis
AMOUNT: AMOUNT 0.1 mol
Name
Type
product
Smiles
S(O)(O)(=O)=O
Measurements
Type Value Analysis
AMOUNT: AMOUNT 0.1 mol
Name
Type
product
Smiles
S(=O)(=O)([O-])[O-].[Ba+2]
Measurements
Type Value Analysis
AMOUNT: MASS 19.5 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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