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40070-59-5,MFCD00005873
Catalog No.:AA003OI3

40070-59-5 | Bromoxylenol blue

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
in stock  
$90.00   $63.00
- +
25g
in stock  
$208.00   $146.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003OI3
Chemical Name:
Bromoxylenol blue
CAS Number:
40070-59-5
Molecular Formula:
C23H20Br2O5S
Molecular Weight:
568.2749
MDL Number:
MFCD00005873
SMILES:
Cc1cc(c(c(c1O)Br)C)C1(OS(=O)(=O)c2c1cccc2)c1cc(C)c(c(c1C)Br)O
NSC Number:
86166
Properties
Properties
 
BP:
618°C at 760 mmHg  
Storage:
Room Temperature;Keep in dry area;  

Computed Properties
 
Complexity:
736  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
31  
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:
6.1  

Downstream Synthesis Route

[1]Cohen[BiochemicalJournal,1923,vol.17,p.535]

110-86-1    40070-59-5   
C23H20Br2O5S*C5H5N 

[1]Grummt,U.-W.[JournalfurpraktischeChemie(Leipzig1954),1984,vol.326,#6,p.910-916]

108-89-4    40070-59-5   
C23H20Br2O5S*C6H7N 

[1]Grummt,U.-W.[JournalfurpraktischeChemie(Leipzig1954),1984,vol.326,#6,p.910-916]

91-22-5    40070-59-5   
C23H20Br2O5S*C9H7N 

[1]Grummt,U.-W.[JournalfurpraktischeChemie(Leipzig1954),1984,vol.326,#6,p.910-916]

C23H20Br2O5S*C5H5N 
  40070-59-5   
2-3-Bromo-2,5-dimethyl-4-oxo-cyclohexa-2,5-dien-(Z)-ylidene-(3-bromo-4-hydroxy-2,5-dimethyl-phenyl)-methyl-benzenesulfonicacid;compoundwithpyridine 

[1]Grummt,U.-W.[JournalfurpraktischeChemie(Leipzig1954),1984,vol.326,#6,p.910-916]

Literature
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SDS
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Tags:40070-59-5 Molecular Formula|40070-59-5 MDL|40070-59-5 SMILES|40070-59-5 Bromoxylenol blue
Catalog No.: AA003OI3
40070-59-5,MFCD00005873
40070-59-5 | Bromoxylenol blue
Pack Size： 5g
Purity：
in stock
$90.00 $63.00
Pack Size： 25g
Purity：
in stock
$208.00 $146.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003OI3
Chemical Name: Bromoxylenol blue
CAS Number: 40070-59-5
Molecular Formula: C23H20Br2O5S
Molecular Weight: 568.2749
MDL Number: MFCD00005873
SMILES: Cc1cc(c(c(c1O)Br)C)C1(OS(=O)(=O)c2c1cccc2)c1cc(C)c(c(c1C)Br)O
NSC Number: 86166
Properties
BP: 618°C at 760 mmHg  
Storage: Room Temperature;Keep in dry area;  
Complexity: 736  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 31  
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: 6.1  
Downstream Synthesis Route
125-31-5    40070-59-5 

[1]Cohen[BiochemicalJournal,1923,vol.17,p.535]

110-86-1    40070-59-5   
C23H20Br2O5S*C5H5N 

[1]Grummt,U.-W.[JournalfurpraktischeChemie(Leipzig1954),1984,vol.326,#6,p.910-916]

108-89-4    40070-59-5   
C23H20Br2O5S*C6H7N 

[1]Grummt,U.-W.[JournalfurpraktischeChemie(Leipzig1954),1984,vol.326,#6,p.910-916]

91-22-5    40070-59-5   
C23H20Br2O5S*C9H7N 

[1]Grummt,U.-W.[JournalfurpraktischeChemie(Leipzig1954),1984,vol.326,#6,p.910-916]

C23H20Br2O5S*C5H5N 
  40070-59-5   
2-3-Bromo-2,5-dimethyl-4-oxo-cyclohexa-2,5-dien-(Z)-ylidene-(3-bromo-4-hydroxy-2,5-dimethyl-phenyl)-methyl-benzenesulfonicacid;compoundwithpyridine 

[1]Grummt,U.-W.[JournalfurpraktischeChemie(Leipzig1954),1984,vol.326,#6,p.910-916]

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