chlorobis(2,4,6-trimethylphenyl)phosphane

• ChemBase ID: 140608
• Molecular Formular: C18H22ClP
• Molecular Mass: 304.794041
• Monoisotopic Mass: 304.11476501
• SMILES: Cc1cc(c(c(c1)C)P(c1c(cc(cc1C)C)C)Cl)C
• Canonical SMILES: ClP(c1c(C)cc(cc1C)C)c1c(C)cc(cc1C)C
• InChI: InChI=1S/C18H22ClP/c1-11-7-13(3)17(14(4)8-11)20(19)18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3
• InChIKey: AZIJQQZQDFCANM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorobis(2,4,6-trimethylphenyl)phosphane
• IUPAC Traditional name: chlorobis(2,4,6-trimethylphenyl)phosphane
• Synonyms: Chlorodimesitylphosphine; Bis(2,4,6-trimethylphenyl)phosphorus chloride; 二(2,4,6-三甲基苯基)氯化膦; 双(2,4,6-三甲基苯基)氯化磷

Database IDs

• CAS Number: 67950-05-4
• MDL Number: MFCD15146311
• PubChem SID: 162234850
• PubChem CID: 13624179

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.9421
• LogD (pH = 7.4): 6.9421
• Log P: 6.9421
• Molar Refractivity: 92.5321 cm^3
• Polarizability: 35.05142 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 80-85 °C

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• 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
• 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: 95%
• Empirical Formula (Hill Notation): C18H22ClP

DETAILS

Sigma Aldrich - 701866

Packaging
1 g in glass bottle