tetrakis(hydroxymethyl)phosphanium chloride

• ChemBase ID: 111440
• Molecular Formular: C4H12ClO4P
• Molecular Mass: 190.562441
• Monoisotopic Mass: 190.01617317
• SMILES: [Cl-].OC[P+](CO)(CO)CO
• Canonical SMILES: OC[P+](CO)(CO)CO.[Cl-]
• InChI: InChI=1S/C4H12O4P.ClH/c5-1-9(2-6,3-7)4-8;/h5-8H,1-4H2;1H/q+1;/p-1
• InChIKey: AKXUUJCMWZFYMV-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrakis(hydroxymethyl)phosphanium chloride
• IUPAC Traditional name: tetrakis(hydroxymethyl)phosphanium chloride
• Synonyms: TETRA(HYDROXYMETHYL)PHOSPHONIUM CHLORIDE, 80% SOLUTION IN WATER; Tetrakis(hydroxymethyl)phosphonium chloride solution; tetrakis(hydroxymethyl)phosphanium chloride; 四羟甲基氯化磷 溶液

Database IDs

• CAS Number: 124-64-1
• MDL Number: MFCD00031687
• Beilstein Number: 3631669
• PubChem SID: 162097114; 24865276
• PubChem CID: 31298

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: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.341 g/mL at 25 °C
• Refractive Index: n20/D 1.512
• Hydrophobicity(logP): -0.523

Safety Information

• RTECS: TA2450000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 21-25-38-41-42/43-51/53
• Safety Statements: 23-26-36/37/39-45-61
• GHS Pictograms: GHS05; GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H315-H318-H334-H411
• GHS Precautionary statements: P261-P273-P280-P301 + P310-P305 + P351 + P338-P342 + P311
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 3

Product Information

• Purity: 95%
• Concentration: ~80% in H2O; 80% in H2O
• Grade: technical
• Linear Formula: (HOCH2)4PCl

DETAILS

MP Biomedicals - 05219186

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 404861

Packaging
100, 500 mL in glass bottle