Triphenylphosphine-3,3',3''-trisulfonic acid trisodium salt - CAS 63995-70-0
Catalog: |
BB032340 |
Product Name: |
Triphenylphosphine-3,3',3''-trisulfonic acid trisodium salt |
CAS: |
63995-70-0 |
Synonyms: |
trisodium;3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate |
IUPAC Name: | trisodium;3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate |
Description: | Triphenylphosphine-3,3',3''-trisulfonic acid trisodium salt (CAS# 63995-70-0) is a reagent used in organic synthesis such as benzothiazole-based cycloplatinated chromophores. |
Molecular Weight: | 568.42 |
Molecular Formula: | C18H12Na3O9PS3 |
Canonical SMILES: | C1=CC(=CC(=C1)S(=O)(=O)[O-])P(C2=CC(=CC=C2)S(=O)(=O)[O-])C3=CC(=CC=C3)S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
InChI: | InChI=1S/C18H15O9PS3.3Na/c19-29(20,21)16-7-1-4-13(10-16)28(14-5-2-8-17(11-14)30(22,23)24)15-6-3-9-18(12-15)31(25,26)27;;;/h1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27);;;/q;3*+1/p-3 |
InChI Key: | MYAJTCUQMQREFZ-UHFFFAOYSA-K |
Appearance: | Off-white to beige powder |
MDL: | MFCD00145472 |
LogP: | 3.39950 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22484254 | 20120701 | Interaction between water-soluble rhodium complex RhCl(CO)(TPPTS)₂ and surfactants probed by spectroscopic methods | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
22452411 | 20120507 | 99mTc-labeled RGD-BBN peptide for small-animal SPECT/CT of lung carcinoma | Molecular pharmaceutics |
22415949 | 20120501 | Ruthenium-catalyzed [2+2+2] cycloaddition of diynes with nitriles in pure water | ChemSusChem |
21521559 | 20111001 | 99mTc-labeled cyclic RGD peptides for noninvasive monitoring of tumor integrin αVβ3 expression | Molecular imaging |
21677979 | 20110907 | Synthesis of non-symmetrically sulphonated phosphine sulphonate based Pd(II) catalyst salts for olefin polymerisation reactions | Dalton transactions (Cambridge, England : 2003) |
Complexity: | 768 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 4 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 567.90741532 |
Formal Charge: | 0 |
Heavy Atom Count: | 34 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 567.90741532 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 197 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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