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72744-54-8,MFCD02069012
Catalog No.:AA003MCP

72744-54-8 | 5-Bromobenzo[d][1,3]dioxole-4-carbaldehyde

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
99%
in stock  
$43.00   $30.00
- +
250mg
>98%
in stock  
$84.00   $59.00
- +
1g
96%
in stock  
$315.00   $220.00
- +
5g
96%
in stock  
$1,209.00   $847.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003MCP
Chemical Name:
5-Bromobenzo[d][1,3]dioxole-4-carbaldehyde
CAS Number:
72744-54-8
Molecular Formula:
C8H5BrO3
Molecular Weight:
229.0275
MDL Number:
MFCD02069012
SMILES:
O=Cc1c(Br)ccc2c1OCO2
Properties
Properties
 
BP:
309.3±42.0 °C(Predicted)  
Form:
Solid  
MP:
162-166 °C(lit.)  
Storage:
2-8℃;Inert atmosphere;  

Computed Properties
 
Complexity:
185  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.9  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,2002,vol.45,p.3660-3668

[1]BioorganicandMedicinalChemistry,2004,vol.12,p.715-734

[1]Ma,Zhi-Xiong;Feltenberger,JohnB.;Hsung,RichardP.[OrganicLetters,2012,vol.14,#11,p.2742-2745]

[2]Ma,Zhi-Xiong;Feltenberger,JohnB.;Hsung,RichardP.[OrganicLetters,2012,vol.14,#11,p.2742-2745]

[1]ChemicalCommunications,2014,vol.50,p.11314-11316

[2]ChemicalCommunications,2014,vol.50,p.11314-11316

[3]JournalofAsianNaturalProductsResearch,2018,vol.20,p.1137-1153

95-23-8    72744-54-8   
(E)-5-((5-bromobenzod-1,3dioxol-4-yl)methyleneamino)-1H-benzodimidazole-2(3H)-one 

[1]Patent:US2014/371271,2014,A1.Locationinpatent:Paragraph0099;0100

[2]Patent:EP2810941,2014,A1.Locationinpatent:Paragraph0083;0084

Literature
Quotation Request
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Additional Info:
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SDS
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Tags:72744-54-8 Molecular Formula|72744-54-8 MDL|72744-54-8 SMILES|72744-54-8 5-Bromobenzo[d][1,3]dioxole-4-carbaldehyde
Catalog No.: AA003MCP
72744-54-8,MFCD02069012
72744-54-8 | 5-Bromobenzo[d][1,3]dioxole-4-carbaldehyde
Pack Size： 100mg
Purity： 99%
in stock
$43.00 $30.00
Pack Size： 250mg
Purity： >98%
in stock
$84.00 $59.00
Pack Size： 1g
Purity： 96%
in stock
$315.00 $220.00
Pack Size： 5g
Purity： 96%
in stock
$1,209.00 $847.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003MCP
Chemical Name: 5-Bromobenzo[d][1,3]dioxole-4-carbaldehyde
CAS Number: 72744-54-8
Molecular Formula: C8H5BrO3
Molecular Weight: 229.0275
MDL Number: MFCD02069012
SMILES: O=Cc1c(Br)ccc2c1OCO2
Properties
BP: 309.3±42.0 °C(Predicted)  
Form: Solid  
MP: 162-166 °C(lit.)  
Storage: 2-8℃;Inert atmosphere;  
Complexity: 185  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.9  
Downstream Synthesis Route
80278-67-7    72744-54-8    400786-32-5 

[1]JournalofMedicinalChemistry,2002,vol.45,p.3660-3668

1075-11-2    72744-54-8    679433-88-6 

[1]BioorganicandMedicinalChemistry,2004,vol.12,p.715-734

72744-54-8    20267-87-2 

[1]Ma,Zhi-Xiong;Feltenberger,JohnB.;Hsung,RichardP.[OrganicLetters,2012,vol.14,#11,p.2742-2745]

[2]Ma,Zhi-Xiong;Feltenberger,JohnB.;Hsung,RichardP.[OrganicLetters,2012,vol.14,#11,p.2742-2745]

72744-54-8    5578-73-4 

[1]ChemicalCommunications,2014,vol.50,p.11314-11316

[2]ChemicalCommunications,2014,vol.50,p.11314-11316

[3]JournalofAsianNaturalProductsResearch,2018,vol.20,p.1137-1153

95-23-8    72744-54-8   
(E)-5-((5-bromobenzod-1,3dioxol-4-yl)methyleneamino)-1H-benzodimidazole-2(3H)-one 

[1]Patent:US2014/371271,2014,A1.Locationinpatent:Paragraph0099;0100

[2]Patent:EP2810941,2014,A1.Locationinpatent:Paragraph0083;0084

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