Home Halogens Tetrabromophenol blue

Tetrabromophenol blue

CAS No.:
4430-25-5
Catalog Number:
AG00I8EK
Molecular Formula:
C19H6Br8O5S
Molecular Weight:
985.5449
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>95.0%(HPLC)
1 week
United States
$82
- +
5g
>95.0%(HPLC)
1 week
United States
$170
- +
Product Description
Catalog Number:
AG00I8EK
Chemical Name:
Tetrabromophenol blue
CAS Number:
4430-25-5
Molecular Formula:
C19H6Br8O5S
Molecular Weight:
985.5449
MDL Number:
MFCD00005876
IUPAC Name:
2,6-dibromo-4-[4,5,6,7-tetrabromo-3-(3,5-dibromo-4-hydroxyphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]phenol
InChI:
InChI=1S/C19H6Br8O5S/c20-7-1-5(2-8(21)16(7)28)19(6-3-9(22)17(29)10(23)4-6)11-12(24)13(25)14(26)15(27)18(11)33(30,31)32-19/h1-4,28-29H
InChI Key:
QPMIVFWZGPTDPN-UHFFFAOYSA-N
SMILES:
Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1c(Br)c(Br)c(c2Br)Br)c1cc(Br)c(c(c1)Br)O
EC Number:
224-622-9
UNII:
S6FO6931N7
NSC Number:
11236
Properties
Complexity:
791  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
985.332g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
985.544g/mol
Monoisotopic Mass:
977.34g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8  
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Properties