dichloro({2-[2-(dichlorophosphanyl)phenoxy]phenyl})phosphane

• ChemBase ID: 144199
• Molecular Formular: C12H8Cl4OP2
• Molecular Mass: 371.950842
• Monoisotopic Mass: 369.88044886
• SMILES: c1ccc(c(c1)Oc1ccccc1P(Cl)Cl)P(Cl)Cl
• Canonical SMILES: ClP(c1ccccc1Oc1ccccc1P(Cl)Cl)Cl
• InChI: InChI=1S/C12H8Cl4OP2/c13-18(14)11-7-3-1-5-9(11)17-10-6-2-4-8-12(10)19(15)16/h1-8H
• InChIKey: XDOGVZTTZQALKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloro({2-[2-(dichlorophosphanyl)phenoxy]phenyl})phosphane
• IUPAC Traditional name: dichloro({2-[2-(dichlorophosphanyl)phenoxy]phenyl})phosphane
• Synonyms: Bis(2-dichlorophosphinophenyl)ether

Database IDs

• CAS Number: 1293994-89-4
• MDL Number: MFCD13182461
• PubChem SID: 162238416
• PubChem CID: 71311044

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.7248
• LogD (pH = 7.4): 5.7248
• Log P: 5.7248
• Molar Refractivity: 86.0766 cm^3
• Polarizability: 33.560745 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 62-66 °C

Safety Information

• European Hazard Symbols: Corrosive (C)
• German water hazard class: 3
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C12H8Cl4OP2

DETAILS

Sigma Aldrich - 725412

Packaging
1, 5 g in glass bottle
250 mg in glass bottle