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molecular formula HfCl4<br>Cl4Hf B085390 Hafnium tetrachloride CAS No. 13499-05-3

Hafnium tetrachloride

货号 B085390
分子量: 320.3 g/mol
InChI 键: PDPJQWYGJJBYLF-UHFFFAOYSA-J
注意: 仅供研究使用。不适用于人类或兽医用途。
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Patent
US04176173

Procedure details

Hydrated hafnium-ammonium-ascorbate was prepared as follows: 1.6 grams of hafnium-tetrachloride and 1.86 grams of crystalline ascorbic acid were dissolved in 5 ml of water, and the pH was adjusted to 6.5 with ammonium hydroxide. Two ml portions of the resulting solution were administered orally to rats and radiographs were obtained comparable to those seen with preparations described in the previous examples. Soluble complexes of ascorbic acid and hafnium possessing similar properties were obtained using molar ratios of ascorbic acid to hafnium of from 1:1 to 4:1.
Quantity
1.6 g
Type
reactant
Reaction Step One
Quantity
1.86 g
Type
reactant
Reaction Step One
Name
Quantity
5 mL
Type
solvent
Reaction Step One
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Two

Identifiers

REACTION_CXSMILES
[Cl-].[Cl-].[Cl-].[Cl-].[Hf+4:5].[O:6]=[C:7]1[O:13][C@H:12]([C@H:14]([CH2:16][OH:17])[OH:15])[C:10]([OH:11])=[C:8]1[OH:9].[OH-].[NH4+]>O>[O:6]=[C:7]1[O:13][C@H:12]([C@H:14]([CH2:16][OH:17])[OH:15])[C:10]([OH:11])=[C:8]1[OH:9].[Hf:5] |f:0.1.2.3.4,6.7|

Inputs

Step One
Name
Quantity
1.6 g
Type
reactant
Smiles
[Cl-].[Cl-].[Cl-].[Cl-].[Hf+4]
Name
Quantity
1.86 g
Type
reactant
Smiles
O=C1C(O)=C(O)[C@H](O1)[C@@H](O)CO
Name
Quantity
5 mL
Type
solvent
Smiles
O
Step Two
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
[OH-].[NH4+]

Conditions

Other
Conditions are dynamic
1
Details
See reaction.notes.procedure_details.

Workups

CUSTOM
Type
CUSTOM
Details
radiographs were obtained comparable to

Outcomes

Product
Name
Type
product
Smiles
O=C1C(O)=C(O)[C@H](O1)[C@@H](O)CO
Name
Type
product
Smiles
[Hf]

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
US04176173

Procedure details

Hydrated hafnium-ammonium-ascorbate was prepared as follows: 1.6 grams of hafnium-tetrachloride and 1.86 grams of crystalline ascorbic acid were dissolved in 5 ml of water, and the pH was adjusted to 6.5 with ammonium hydroxide. Two ml portions of the resulting solution were administered orally to rats and radiographs were obtained comparable to those seen with preparations described in the previous examples. Soluble complexes of ascorbic acid and hafnium possessing similar properties were obtained using molar ratios of ascorbic acid to hafnium of from 1:1 to 4:1.
Quantity
1.6 g
Type
reactant
Reaction Step One
Quantity
1.86 g
Type
reactant
Reaction Step One
Name
Quantity
5 mL
Type
solvent
Reaction Step One
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Two

Identifiers

REACTION_CXSMILES
[Cl-].[Cl-].[Cl-].[Cl-].[Hf+4:5].[O:6]=[C:7]1[O:13][C@H:12]([C@H:14]([CH2:16][OH:17])[OH:15])[C:10]([OH:11])=[C:8]1[OH:9].[OH-].[NH4+]>O>[O:6]=[C:7]1[O:13][C@H:12]([C@H:14]([CH2:16][OH:17])[OH:15])[C:10]([OH:11])=[C:8]1[OH:9].[Hf:5] |f:0.1.2.3.4,6.7|

Inputs

Step One
Name
Quantity
1.6 g
Type
reactant
Smiles
[Cl-].[Cl-].[Cl-].[Cl-].[Hf+4]
Name
Quantity
1.86 g
Type
reactant
Smiles
O=C1C(O)=C(O)[C@H](O1)[C@@H](O)CO
Name
Quantity
5 mL
Type
solvent
Smiles
O
Step Two
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
[OH-].[NH4+]

Conditions

Other
Conditions are dynamic
1
Details
See reaction.notes.procedure_details.

Workups

CUSTOM
Type
CUSTOM
Details
radiographs were obtained comparable to

Outcomes

Product
Name
Type
product
Smiles
O=C1C(O)=C(O)[C@H](O1)[C@@H](O)CO
Name
Type
product
Smiles
[Hf]

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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