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Chlorophosphonazo III

CAT: 0931-TYD-01177-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-TYD-01177-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1914-99-4
Bioactivity
Chlorophosphonazo III is an agent sensitive to both calcium and magnesium. It allows for the specific determination of calcium at a pH of 2.2 and both calcium and magnesium at a pH of 7.0. Additionally, Chlorophosphonazo III is utilized in spectrophotometric determination of titanium, zirconium, thorium, scandium, pentavalent actinides, and protactinium.
Smiles
O=P(O)(C1=CC(Cl)=CC=C1/N=N/C2=C(C3=C(C=C2S(=O)(O)=O)C=C(S(=O)(O)=O)C(/N=N/C4=CC=C(C=C4P(O)(O)=O)Cl)=C3O)O)O
Molecular Formula
C22H16Cl2N4O14P2S2
Molecular Weight
757.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Chlorophosphonazo III

structure

CAS Number1914-99-4
PubChem CID135456181
IUPAC Name3,6-bis[(4-chloro-2-phosphonophenyl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonic acid
Molecular FormulaC22H16Cl2N4O14P2S2
Molecular Weight757.4
XLogP1.4
Topological Polar Surface Area330
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count18
Rotatable Bond Count8
Heavy Atom Count46
Formal Charge0
Complexity1380
SMILES
C1=CC(=C(C=C1Cl)P(=O)(O)O)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)N=NC4=C(C=C(C=C4)Cl)P(=O)(O)O)O)O
InChI
InChI=1S/C22H16Cl2N4O14P2S2/c23-10-1-3-12(14(7-10)43(31,32)33)25-27-19-16(45(37,38)39)5-9-6-17(46(40,41)42)20(22(30)18(9)21(19)29)28-26-13-4-2-11(24)8-15(13)44(34,35)36/h1-8,29-30H,(H2,31,32,33)(H2,34,35,36)(H,37,38,39)(H,40,41,42)
InChIKey
LMBABJNSZGKTBA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chlorophosphonazo III
CAS: 1914-99-4
CID: 135456181
Formula: C22H16Cl2N4O14P2S2
MW: 757.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight757.4
XLogP31.4
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count18
Rotatable Bond Count8
Exact Mass755.8956729
Monoisotopic Mass755.8956729
Topological Polar Surface Area330 Ų
Heavy Atom Count46
Formal Charge0
Complexity1380
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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