(diethylamino)phosphonoyl dichloride

• ChemBase ID: 296369
• Molecular Formular: C4H10Cl2NOP
• Molecular Mass: 190.008061
• Monoisotopic Mass: 188.98770594
• SMILES: CCN(CC)P(=O)(Cl)Cl
• Canonical SMILES: CCN(P(=O)(Cl)Cl)CC
• InChI: InChI=1S/C4H10Cl2NOP/c1-3-7(4-2)9(5,6)8/h3-4H2,1-2H3
• InChIKey: FXKRFCBTXGJQPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (diethylamino)phosphonoyl dichloride
• IUPAC Traditional name: diethylaminophosphonoyl dichloride
• Synonyms: Dichloro(diethylamino)phosphine oxide; Diethylphosphoramidic dichloride; 二乙基二氯膦酰胺

Database IDs

• CAS Number: 1498-54-0
• MDL Number: MFCD00013897
• PubChem SID: 180681900
• PubChem CID: 73906

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.0967809
• LogD (pH = 7.4): 1.0967809
• Log P: 1.0967809
• Molar Refractivity: 42.6213 cm^3
• Polarizability: 16.431553 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 220°C
• Refractive Index: 1.4640

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: 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: 96%