chlorobis(2-methoxyphenyl)phosphane

• ChemBase ID: 143126
• Molecular Formular: C14H14ClO2P
• Molecular Mass: 280.686521
• Monoisotopic Mass: 280.041994
• SMILES: COc1ccccc1P(c1ccccc1OC)Cl
• Canonical SMILES: COc1ccccc1P(c1ccccc1OC)Cl
• InChI: InChI=1S/C14H14ClO2P/c1-16-11-7-3-5-9-13(11)18(15)14-10-6-4-8-12(14)17-2/h3-10H,1-2H3
• InChIKey: PEKLJSZEUFVLKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorobis(2-methoxyphenyl)phosphane
• IUPAC Traditional name: chlorobis(2-methoxyphenyl)phosphane
• Synonyms: Bis(2-methoxyphenyl)chlorophosphine; Chlorobis(2-methoxyphenyl)phosphine; Bis(2-methoxyphenyl)chlorophosphine; 氯二(2-甲氧苯基)膦; 双(2-甲氧基苯基)氯化膦

Database IDs

• CAS Number: 263369-88-6
• EC Number: 000-000-0
• MDL Number: MFCD08064037
• PubChem SID: 162237348
• PubChem CID: 17790799

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: 29.489 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 109-113 °C; 111-114°C

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 1759; UN3261
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 1; II
• Risk Statements: 14-34; 34
• Safety Statements: 20-26-36/37/39-45; 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• RID/ADR: UN 1759 8/PG 1
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

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

DETAILS

Sigma Aldrich - 710334

Packaging
1 g in glass bottle
Application
Reactant for:
• Cycloadditions reactions1
• Asymmetric hydrogenation and allylic substitution2
• Asymmetric hydrogenation of imines and olefins3Reactant for synthesis of:
• Ferrocene-based chiral diphosphine4
• Catalysts for C-C cross coupling reactions5
• Palladium complexes6