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77172-72-6,MFCD00009744
Catalog No.:AA003KE7

77172-72-6 | 4,5,6,7-Tetrabromo-3,3-bis(4-hydroxyphenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$75.00   $53.00
- +
5g
95%
in stock  
$189.00   $132.00
- +
25g
95%
in stock  
$628.00   $440.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003KE7
Chemical Name:
4,5,6,7-Tetrabromo-3,3-bis(4-hydroxyphenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxide
CAS Number:
77172-72-6
Molecular Formula:
C19H10Br4O5S
Molecular Weight:
669.9607
MDL Number:
MFCD00009744
SMILES:
Oc1ccc(cc1)C1(OS(=O)(=O)c2c1c(Br)c(Br)c(c2Br)Br)c1ccc(cc1)O
Properties
Properties
 
BP:
696.1 °C at 760 mmHg  
Form:
Solid  
MP:
270-271℃  

Computed Properties
 
Complexity:
678  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
6  

Downstream Synthesis Route

[1]Harden;Drake[JournaloftheAmericanChemicalSociety,1929,vol.51,p.565]

Literature

Title: Semenova D, et al. Model-based analysis of biocatalytic processes and performance of microbioreactors with integrated optical sensors. N Biotechnol. 2020 May 25;56:27-37.

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SDS
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Tags:77172-72-6 Molecular Formula|77172-72-6 MDL|77172-72-6 SMILES|77172-72-6 4,5,6,7-Tetrabromo-3,3-bis(4-hydroxyphenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxide
Catalog No.: AA003KE7
77172-72-6,MFCD00009744
77172-72-6 | 4,5,6,7-Tetrabromo-3,3-bis(4-hydroxyphenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxide
Pack Size： 1g
Purity： 95%
in stock
$75.00 $53.00
Pack Size： 5g
Purity： 95%
in stock
$189.00 $132.00
Pack Size： 25g
Purity： 95%
in stock
$628.00 $440.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003KE7
Chemical Name: 4,5,6,7-Tetrabromo-3,3-bis(4-hydroxyphenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxide
CAS Number: 77172-72-6
Molecular Formula: C19H10Br4O5S
Molecular Weight: 669.9607
MDL Number: MFCD00009744
SMILES: Oc1ccc(cc1)C1(OS(=O)(=O)c2c1c(Br)c(Br)c(c2Br)Br)c1ccc(cc1)O
Properties
BP: 696.1 °C at 760 mmHg  
Form: Solid  
MP: 270-271℃  
Complexity: 678  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 29  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 6  
Downstream Synthesis Route
108-95-2    77172-72-6 

[1]Harden;Drake[JournaloftheAmericanChemicalSociety,1929,vol.51,p.565]

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