Welcome to the BenchChem Online Store!
molecular formula Cl2 B1223078 Chlorine CAS No. 7782-50-5

Chlorine

Cat. No. B1223078
M. Wt: 70.90 g/mol
InChI Key: KZBUYRJDOAKODT-UHFFFAOYSA-N
Attention: For research use only. Not for human or veterinary use.
In Stock
  • Click on QUICK INQUIRY to receive a quote from our team of experts.
  • With the quality product at a COMPETITIVE price, you can focus more on your research.
Patent
US06274739B1

Procedure details

Using the method of Example 1, 11.9 g (0.1 mol) of benzoxazole were reacted, with addition of 0.5 g of montmorillonite KSF, with chlorine gas at 100° C. After addition of 1.1 times the molar amount of chlorine gas, GC showed complete conversion into 2-chlorobenzoxazole. Further introduction of chlorine gas (an additional 1.0 times the molar amount) at 120-125° C. resulted in 80.6% conversion into 2,6-dichlorobenzoxazole.
Quantity
11.9 g
Type
reactant
Reaction Step One
Quantity
0.5 g
Type
reactant
Reaction Step Two
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Two
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Three
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Four

Identifiers

REACTION_CXSMILES
O1C2C=CC=CC=2N=C1.O.[O-2].[O-2].[O-2].O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.[Al+3].[Al+3].[Cl:28][Cl:29].[Cl:30][C:31]1[O:32][C:33]2[CH:39]=[CH:38][CH:37]=[CH:36][C:34]=2[N:35]=1>>[Cl:28][Cl:29].[Cl:30][C:31]1[O:32][C:33]2[CH:39]=[C:38]([Cl:28])[CH:37]=[CH:36][C:34]=2[N:35]=1 |f:1.2.3.4.5.6.7.8.9.10|

Inputs

Step One
Name
Quantity
11.9 g
Type
reactant
Smiles
O1C=NC2=C1C=CC=C2
Step Two
Name
Quantity
0.5 g
Type
reactant
Smiles
O.[O-2].[O-2].[O-2].O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.[Al+3].[Al+3]
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
ClCl
Step Three
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
ClCl
Step Four
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
ClC=1OC2=C(N1)C=CC=C2

Conditions

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

Outcomes

Product
Name
Type
product
Smiles
ClCl
Name
Type
product
Smiles
ClC=1OC2=C(N1)C=CC(=C2)Cl

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
US06274739B1

Procedure details

Using the method of Example 1, 11.9 g (0.1 mol) of benzoxazole were reacted, with addition of 0.5 g of montmorillonite KSF, with chlorine gas at 100° C. After addition of 1.1 times the molar amount of chlorine gas, GC showed complete conversion into 2-chlorobenzoxazole. Further introduction of chlorine gas (an additional 1.0 times the molar amount) at 120-125° C. resulted in 80.6% conversion into 2,6-dichlorobenzoxazole.
Quantity
11.9 g
Type
reactant
Reaction Step One
Quantity
0.5 g
Type
reactant
Reaction Step Two
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Two
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Three
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Four

Identifiers

REACTION_CXSMILES
O1C2C=CC=CC=2N=C1.O.[O-2].[O-2].[O-2].O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.[Al+3].[Al+3].[Cl:28][Cl:29].[Cl:30][C:31]1[O:32][C:33]2[CH:39]=[CH:38][CH:37]=[CH:36][C:34]=2[N:35]=1>>[Cl:28][Cl:29].[Cl:30][C:31]1[O:32][C:33]2[CH:39]=[C:38]([Cl:28])[CH:37]=[CH:36][C:34]=2[N:35]=1 |f:1.2.3.4.5.6.7.8.9.10|

Inputs

Step One
Name
Quantity
11.9 g
Type
reactant
Smiles
O1C=NC2=C1C=CC=C2
Step Two
Name
Quantity
0.5 g
Type
reactant
Smiles
O.[O-2].[O-2].[O-2].O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.[Al+3].[Al+3]
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
ClCl
Step Three
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
ClCl
Step Four
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
ClC=1OC2=C(N1)C=CC=C2

Conditions

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

Outcomes

Product
Name
Type
product
Smiles
ClCl
Name
Type
product
Smiles
ClC=1OC2=C(N1)C=CC(=C2)Cl

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
US06274739B1

Procedure details

Using the method of Example 1, 11.9 g (0.1 mol) of benzoxazole were reacted, with addition of 0.5 g of montmorillonite KSF, with chlorine gas at 100° C. After addition of 1.1 times the molar amount of chlorine gas, GC showed complete conversion into 2-chlorobenzoxazole. Further introduction of chlorine gas (an additional 1.0 times the molar amount) at 120-125° C. resulted in 80.6% conversion into 2,6-dichlorobenzoxazole.
Quantity
11.9 g
Type
reactant
Reaction Step One
Quantity
0.5 g
Type
reactant
Reaction Step Two
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Two
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Three
Quantity
0 (± 1) mol
Type
reactant
Reaction Step Four

Identifiers

REACTION_CXSMILES
O1C2C=CC=CC=2N=C1.O.[O-2].[O-2].[O-2].O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.[Al+3].[Al+3].[Cl:28][Cl:29].[Cl:30][C:31]1[O:32][C:33]2[CH:39]=[CH:38][CH:37]=[CH:36][C:34]=2[N:35]=1>>[Cl:28][Cl:29].[Cl:30][C:31]1[O:32][C:33]2[CH:39]=[C:38]([Cl:28])[CH:37]=[CH:36][C:34]=2[N:35]=1 |f:1.2.3.4.5.6.7.8.9.10|

Inputs

Step One
Name
Quantity
11.9 g
Type
reactant
Smiles
O1C=NC2=C1C=CC=C2
Step Two
Name
Quantity
0.5 g
Type
reactant
Smiles
O.[O-2].[O-2].[O-2].O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.[Al+3].[Al+3]
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
ClCl
Step Three
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
ClCl
Step Four
Name
Quantity
0 (± 1) mol
Type
reactant
Smiles
ClC=1OC2=C(N1)C=CC=C2

Conditions

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

Outcomes

Product
Name
Type
product
Smiles
ClCl
Name
Type
product
Smiles
ClC=1OC2=C(N1)C=CC(=C2)Cl

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.
© Copyright 2024 BenchChem. All Rights Reserved.