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Sodium 2,4,8,10-Tetra-tert-butyl-12H-dibenzo[d,g][1,3,2]dioxaphosphocin-6-olate 6-Oxide - 98%, high purity , CAS No.85209-91-2
Basic Description
Synonyms | EINECS 286-344-4 | 2,2'-Methylenebis(4,6-di-t-butylphenyl) sodium phosphate | 2,2'-methylenebis(4,6-di-tert-butylphenol) phosphate sodium salt | Sodium 2,2'-methylene-bis(4,6-di-tert-butylphenyl) phosphate | SODIUM 2,2'-METHYLENEBIS(4,6-DI-TERT-BUTYLPHENY |
Specifications & Purity | ≥98% |
Storage Temp | Store at 2-8°C,Protected from light,Argon charged |
Shipped In | Wet ice |
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Names and Identifiers
Pubchem Sid | 504769591 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504769591 |
IUPAC Name | sodium;1,3,7,9-tetratert-butyl-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide |
INCHI | InChI=1S/C29H43O4P.Na/c1-26(2,3)20-14-18-13-19-15-21(27(4,5)6)17-23(29(10,11)12)25(19)33-34(30,31)32-24(18)22(16-20)28(7,8)9;/h14-17H,13H2,1-12H3,(H,30,31);/q;+1/p-1 |
InChi Key | ZHROMWXOTYBIMF-UHFFFAOYSA-M |
Canonical SMILES | CC(C)(C)C1=CC2=C(C(=C1)C(C)(C)C)OP(=O)(OC3=C(C2)C=C(C=C3C(C)(C)C)C(C)(C)C)[O-].[Na+] |
Isomeric SMILES | CC(C)(C)C1=CC2=C(C(=C1)C(C)(C)C)OP(=O)(OC3=C(C2)C=C(C=C3C(C)(C)C)C(C)(C)C)[O-].[Na+] |
PubChem CID | 23674278 |
UN Number | 3077 |
Packing Group | III |
Molecular Weight | 508.61 |
Reaxy-Rn | 30388877 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity | light sensitive |
Molecular Weight | 508.600 g/mol |
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XLogP3 | |
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Hydrogen Bond Donor Count | 0 |
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Hydrogen Bond Acceptor Count | 4 |
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Rotatable Bond Count | 4 |
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Exact Mass | 508.272 Da |
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Monoisotopic Mass | 508.272 Da |
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Topological Polar Surface Area | 58.600 Ų |
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Heavy Atom Count | 35 |
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Formal Charge | 0 |
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Complexity | 710.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 0 |
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Undefined Atom Stereocenter Count | 0 |
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Defined Bond Stereocenter Count | 0 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 0 |
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Covalently-Bonded Unit Count | 2 |
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Safety and Hazards(GHS)
Pictogram(s) | GHS09, GHS07 |
Signal | Warning |
Hazard Statements | H411:Toxic to aquatic life with long lasting effects H412:Harmful to aquatic life with long lasting effects H332:Harmful if inhaled |
Precautionary Statements | P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P273:Avoid release to the environment. P501:Dispose of contents/container to ... P271:Use only outdoors or in a well-ventilated area. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P391:Collect spillage. P317:Get emergency medical help. |
Reaxy-Rn | 30388877 |
Class | 9 |
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