bis(2-chlorophenyl) chlorophosphonate

• ChemBase ID: 301916
• Molecular Formular: C12H8Cl3O3P
• Molecular Mass: 337.522881
• Monoisotopic Mass: 335.92766379
• SMILES: c1ccc(c(c1)OP(=O)(Oc1ccccc1Cl)Cl)Cl
• Canonical SMILES: Clc1ccccc1OP(=O)(Oc1ccccc1Cl)Cl
• InChI: InChI=1S/C12H8Cl3O3P/c13-9-5-1-3-7-11(9)17-19(15,16)18-12-8-4-2-6-10(12)14/h1-8H
• InChIKey: ZLSGEMKKBUVQOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2-chlorophenyl) chlorophosphonate
• IUPAC Traditional name: bis(2-chlorophenyl) chlorophosphonate
• Synonyms: Bis(2-chlorophenyl) phosphorochloridate; 双(2-氯苯基)磷酰氯

Database IDs

• CAS Number: 17776-78-2
• MDL Number: MFCD00015736
• Beilstein Number: 2152478

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.0252204
• LogD (pH = 7.4): 5.0252204
• Log P: 5.0252204
• Molar Refractivity: 76.353 cm^3
• Polarizability: 30.358297 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 184-186°C/0.4mm
• Density: 1.465
• Refractive Index: 1.5705

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: 97%