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PV-10

CAT: 0926-LAA12148-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0926-LAA12148-02Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
11121-48-5
MDL Number
MFCD00151169
Smiles
C1CN (CCC1 (F) F) C2=NC (=NC3=C2N=CC=C3) Cl
Molecular Formula
C20H4Cl4I4O5
Molecular Weight
973.7 g/mol
Controlled
No

Chemical Information

Rose Bengal

Rose bengal is an organic potassium salt that is the dipotassium salt of 2,3,4,5-tetrachloro-6-(2,4,5,7-tetraiodo-6-hydroxy-3-oxoxanthen-9-yl)benzoic acid. It has a role as a fluorochrome and a histological dye. It is a xanthene dye and an organic potassium salt. It contains a rose bengal(2-). It is functionally related to a fluorescin.

CAS Number11121-48-5
PubChem CID25473
IUPAC Namedipotassium;2,3,4,5-tetrachloro-6-(2,4,5,7-tetraiodo-3-oxido-6-oxoxanthen-9-yl)benzoate
Molecular FormulaC20H2Cl4I4K2O5
Molecular Weight1049.8
Topological Polar Surface Area89.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count35
Formal Charge0
Complexity936
SMILES
C1=C2C(=C3C=C(C(=O)C(=C3OC2=C(C(=C1I)[O-])I)I)I)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)[O-].[K+].[K+]
InChI
InChI=1S/C20H4Cl4I4O5.2K/c21-10-8(9(20(31)32)11(22)13(24)12(10)23)7-3-1-5(25)16(29)14(27)18(3)33-19-4(7)2-6(26)17(30)15(19)28;;/h1-2,29H,(H,31,32);;/q;2*+1/p-2
InChIKey
AZJPTIGZZTZIDR-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Rose Bengal
CAS: 11121-48-5
CID: 25473
Formula: C20H2Cl4I4K2O5
MW: 1049.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1049.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass1049.4080
Monoisotopic Mass1047.4109
Topological Polar Surface Area89.5 Ų
Heavy Atom Count35
Formal Charge0
Complexity936
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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