[bis(hydroxymethyl)phosphanyl]methanol

• ChemBase ID: 148400
• Molecular Formular: C3H9O3P
• Molecular Mass: 124.075521
• Monoisotopic Mass: 124.02893078
• SMILES: C(O)P(CO)CO
• Canonical SMILES: OCP(CO)CO
• InChI: InChI=1S/C3H9O3P/c4-1-7(2-5)3-6/h4-6H,1-3H2
• InChIKey: JMXMXKRNIYCNRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [bis(hydroxymethyl)phosphanyl]methanol
• IUPAC Traditional name: methanol, phosphinidynetris-
• Synonyms: Trimethylolphosphine; Tris(methanol)phosphine; Phosphinidynetrimethanol; Tris(hydroxymethyl)phosphine; 次膦基三甲醇; 三(羟甲基)膦

Database IDs

• CAS Number: 2767-80-8
• EC Number: 220-445-6
• MDL Number: MFCD00055382
• PubChem SID: 24850698; 162242576
• PubChem CID: 76001

CALCULATED PROPERTIES

• Acid pKa: 14.8238325
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.92862463
• LogD (pH = 7.4): -0.925342
• Log P: -0.9253
• Molar Refractivity: 30.966 cm^3
• Polarizability: 10.976834 Å^3
• Polar Surface Area: 60.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 48-56 °C(lit.)
• Boiling Point: 111-113 °C/2.5 mmHg(lit.)
• Flash Point: >110 °C; >230 °F

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 25-37/38-41
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H318-H335
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: 90%
• Linear Formula: (HOCH2)3P

DETAILS

Sigma Aldrich - 177881

Packaging
25 g in glass bottle