dibromonickel; bis(tributylphosphane)

• ChemBase ID: 140237
• Molecular Formular: C24H54Br2NiP2
• Molecular Mass: 623.134482
• Monoisotopic Mass: 620.14209189
• SMILES: CCCCP(CCCC)CCCC.CCCCP(CCCC)CCCC.[Ni](Br)Br
• Canonical SMILES: CCCCP(CCCC)CCCC.CCCCP(CCCC)CCCC.Br[Ni]Br
• InChI: InChI=1S/2C12H27P.2BrH.Ni/c2*1-4-7-10-13(11-8-5-2)12-9-6-3;;;/h2*4-12H2,1-3H3;2*1H;/q;;;;+2/p-2
• InChIKey: JRHYDBOXJQOUJY-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dibromonickel; bis(tributylphosphane)
• IUPAC Traditional name: dibromonickel; bis(tributylphosphine)
• Synonyms: Dibromobis(tributylphosphine)nickel(II); 双(三丁基膦)二溴化镍

Database IDs

• CAS Number: 15242-92-9
• MDL Number: MFCD00074946
• PubChem SID: 162234481; 24859992
• PubChem CID: 6102272

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.8171377
• LogD (pH = 7.4): 3.8240328
• Log P: 4.3595
• Molar Refractivity: 68.4258 cm^3
• Polarizability: 25.590317 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 55-56 °C(lit.)

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 1759
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 45-20/21/22-34-42
• Safety Statements: 53-22-26-36/37/39-45
• GHS Pictograms: GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H312-H314-H332-H334-H350
• GHS Precautionary statements: P201-P261-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 1759 8/PG 2

Product Information

• Purity: 97%
• Linear Formula: {[CH3(CH2)3]3P}2NiBr2

DETAILS

Sigma Aldrich - 331694

Packaging
25 g in glass bottle