chlorobis(4-methoxyphenyl)phosphane

• ChemBase ID: 142563
• Molecular Formular: C14H14ClO2P
• Molecular Mass: 280.686521
• Monoisotopic Mass: 280.041994
• SMILES: COc1ccc(cc1)P(c1ccc(cc1)OC)Cl
• Canonical SMILES: COc1ccc(cc1)P(c1ccc(cc1)OC)Cl
• InChI: InChI=1S/C14H14ClO2P/c1-16-11-3-7-13(8-4-11)18(15)14-9-5-12(17-2)6-10-14/h3-10H,1-2H3
• InChIKey: YTFQUBRFOJIJOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorobis(4-methoxyphenyl)phosphane
• IUPAC Traditional name: chlorobis(4-methoxyphenyl)phosphane
• Synonyms: P,P-Bis(4-methoxyphenyl)phosphinous chloride; Bis(4-methoxyphenyl)chlorophosphine; Bis(4-methoxyphenyl)chlorophosphine; Chlorobis(4-methoxyphenyl)phosphine; 双(4-甲氧基苯基)氯化膦; 氯二(4-甲氧苯基)膦

Database IDs

• CAS Number: 13685-30-8
• MDL Number: MFCD04972301
• PubChem SID: 162236790
• PubChem CID: 4379930

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6335
• LogD (pH = 7.4): 3.6335
• Log P: 3.6335
• Molar Refractivity: 75.2113 cm^3
• Polarizability: 29.484104 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 61-64°C; 62-66 °C
• Boiling Point: 140°C/1.5mm

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 3261; UN3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P280-P303+P361+P353-P305+P351+P338-P310; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 2

Product Information

• Purity: 85%; 95%; 98+%
• Empirical Formula (Hill Notation): C14H14ClO2P

DETAILS

Sigma Aldrich - 710377

Packaging
2 g in glass bottle
Application
Reactant for asymmetric:
• Allylic substitution1
• Intermolecular Pauson-Khand reaction of symmetrically substituted alkynes2
• Hydrogenation3
• Intramolecular α-arylation of aldehydes4Reactant for:
• Alcoholysis of phosphane-boranes5
• Probing hemilabile sites of Bis(phosphine) monoxide ligands6

Sigma Aldrich - 698474

Packaging
250 mg in glass bottle
Application
Reactant for asymmetric:
• Allylic substitution1
• Intermolecular Pauson-Khand reaction of symmetrically substituted alkynes2
• Hydrogenation3
• Intramolecular α-arylation of aldehydes4Reactant for:
• Alcoholysis of phosphane-boranes5
• Probing hemilabile sites of Bis(phosphine) monoxide ligands6