chlorobis(4-methylphenyl)phosphane

• ChemBase ID: 142662
• Molecular Formular: C14H14ClP
• Molecular Mass: 248.687721
• Monoisotopic Mass: 248.05216476
• SMILES: Cc1ccc(cc1)P(c1ccc(cc1)C)Cl
• Canonical SMILES: ClP(c1ccc(cc1)C)c1ccc(cc1)C
• InChI: InChI=1S/C14H14ClP/c1-11-3-7-13(8-4-11)16(15)14-9-5-12(2)6-10-14/h3-10H,1-2H3
• InChIKey: BJBXRRHIBSXGLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorobis(4-methylphenyl)phosphane
• IUPAC Traditional name: chlorobis(4-methylphenyl)phosphane
• Synonyms: P,P-Bis(4-methylphenyl)-phosphinous chloride; Chlorodi-p-tolylphosphine; Bis(4-methylphenyl)chlorophosphine; Di(p-tolyl)chlorophosphine; Chlorobis(4-methylphenyl)phosphine; Chlorodi(p-tolyl)phosphine; P,P-双(4-甲基苯基)-氯化膦; 氯二对甲苯基膦; 双(4-甲基苯基)氯膦; 二对甲苯基氯化膦

Database IDs

• CAS Number: 1019-71-2
• EC Number: 000-000-0
• MDL Number: MFCD01630844
• PubChem SID: 162236888
• PubChem CID: 4188608

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.0733
• LogD (pH = 7.4): 5.0733
• Log P: 5.0733
• Molar Refractivity: 72.3673 cm^3
• Polarizability: 27.986206 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 180-184°C/10mm
• Density: 1.1 g/mL at 25 °C; 1.159
• Refractive Index: n20/D 1.501

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 3265; UN1760
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3; 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
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 3
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: 95%; 96%
• Empirical Formula (Hill Notation): C14H14ClP

DETAILS

Sigma Aldrich - 695815

Packaging
1 g in glass bottle
250 mg in glass bottle
Application
Reactant for synthesis of:
• Palladium catalysts for C-C bond forming cross-coupling reactions1
• Ligands for nickel(0)-catalyzed isomerization reactions2
• Phosphinosulfonamide nickel complexes for oligomerization reactions3Reactant for:
• Pd-catalyzed intramolecular asymmetric allylic amination and ring-closing metathesis4
• Phosphinylation reactions5