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Home Bromides 102185-52-4
102185-52-4,MFCD00001612
Catalog No.:AA0006R7
102185-52-4 | Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-6-chloro-, sodium salt (1:1)
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
≥ 95% (Dye content)
in stock  
$47.00   $33.00
- +
5g
≥ 95% (Dye content)
in stock  
$134.00   $94.00
- +
25g
≥ 95% (Dye content)
in stock  
$396.00   $277.00
- +
100g
≥ 95% (Dye content)
in stock  
$1,157.00   $810.00
- +
250g
≥ 95% (Dye content)
in stock  
$2,012.00   $1,408.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA0006R7
Chemical Name:
Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-6-chloro-, sodium salt (1:1)
CAS Number:
102185-52-4
Molecular Formula:
C19H10Br2Cl2NaO5S
Molecular Weight:
604.0485
MDL Number:
MFCD00001612
IUPAC Name:
sodium;2-[(E)-(3-bromo-5-chloro-4-hydroxyphenyl)-(3-bromo-5-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate
InChI:
InChI=1S/C19H10Br2Cl2O5S.Na/c20-12-5-9(7-14(22)18(12)24)17(10-6-13(21)19(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28;/h1-8,24H,(H,26,27,28);/q;+1/p-1/b17-10-;
InChI Key:
BWDKAKIITIACLI-HVHKRRFMSA-M
SMILES:
Clc1cc(cc(c1O)Br)C1(OS(=O)(=O)c2c1cccc2)c1cc(Cl)c(c(c1)Br)O.[Na]
Properties
Computed Properties
 
Complexity:
884  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
601.779g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
603.034g/mol
Monoisotopic Mass:
599.781g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
Bromochlorophenol Blue sodium salt 
102185-52-4 
MFCD00001612 
CID6511154 
CID 3260155 
AC1NXB0H 
C19H9Br2Cl2O5S.Na 
6470AH 
ST080948 
A-8715 
2-[(5-bromo-3-chloro-4-hydroxyphenyl)(3-bromo-5-chloro-4-oxocyclohexa-2,5-dien ylidene)methyl]benzenesulfonic acid, sodium salt 
sodium 2-[(E)-(3-bromo-5-chloro-4-hydroxyphenyl)-(3-bromo-5-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate 
Bromochlorophenol Blue, water soluble 
Literature
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