didiethylamino chlorophosphonate

• ChemBase ID: 295708
• Molecular Formular: C8H20ClN2O3P
• Molecular Mass: 258.682761
• Monoisotopic Mass: 258.09000682
• SMILES: C(C)N(CC)OP(=O)(ON(CC)CC)Cl
• Canonical SMILES: CCN(OP(=O)(ON(CC)CC)Cl)CC
• InChI: InChI=1S/C8H20ClN2O3P/c1-5-10(6-2)13-15(9,12)14-11(7-3)8-4/h5-8H2,1-4H3
• InChIKey: PHOOJCFHNBCORF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: didiethylamino chlorophosphonate
• IUPAC Traditional name: didiethylamino chlorophosphonate
• Synonyms: Bis(diethylamino)phosphorochloridate; 双(二乙基氨基)氯酸偶膦

Database IDs

• CAS Number: 1794-24-7
• EC Number: 217-262-9
• MDL Number: MFCD00137958
• PubChem SID: 180681239
• PubChem CID: 54189599

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2196797
• LogD (pH = 7.4): 1.2196825
• Log P: 1.2196826
• Molar Refractivity: 62.576 cm^3
• Polarizability: 25.161825 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 101°C/0.3mm
• Density: 1.07

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3265
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 97%