bis(tetrakis(hydroxymethyl)phosphanium) sulfate

• ChemBase ID: 152443
• Molecular Formular: C8H24O12P2S
• Molecular Mass: 406.281482
• Monoisotopic Mass: 406.04637047
• SMILES: C(O)[P+](CO)(CO)CO.C(O)[P+](CO)(CO)CO.[O-]S(=O)(=O)[O-]
• Canonical SMILES: [O-]S(=O)(=O)[O-].OC[P+](CO)(CO)CO.OC[P+](CO)(CO)CO
• InChI: InChI=1S/2C4H12O4P.H2O4S/c2*5-1-9(2-6,3-7)4-8;1-5(2,3)4/h2*5-8H,1-4H2;(H2,1,2,3,4)/q2*+1;/p-2
• InChIKey: YIEDHPBKGZGLIK-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(tetrakis(hydroxymethyl)phosphanium) sulfate
• IUPAC Traditional name: bis(tetrakis(hydroxymethyl)phosphanium) sulfate
• Synonyms: Tetrakis(hydroxymethyl)phosphonium sulfate; Bis[tetrakis(hydroxymethyl)phosphonium] sulfate solution; Tetrakis(hydroxymethyl)phosphonium sulfate; 四(羟甲基)鏻硫酸盐; 四羟甲基硫酸磷 溶液

Database IDs

• CAS Number: 55566-30-8
• MDL Number: MFCD00054243
• Beilstein Number: 8521357
• PubChem SID: 24849160; 162246588
• PubChem CID: 41478

CALCULATED PROPERTIES

• Acid pKa: 14.059018
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -3.4872844
• LogD (pH = 7.4): -3.4872844
• Log P: -3.4872844
• Molar Refractivity: 33.1412 cm^3
• Polarizability: 13.8361025 Å^3
• Polar Surface Area: 80.92 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2922
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 22-34-52
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H314-H331
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P310
• RID/ADR: UN 2922 8/PG 3

Product Information

• Purity: 95+%
• Concentration: 70-75% in H2O (T)
• Grade: technical
• Impurities: formaldehyde
• Linear Formula: [(HOCH2)4P]2(SO4)

DETAILS

Sigma Aldrich - 15175

Frequently Asked Questions
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Packaging
250 mL in poly bottle