1-methoxy-2-(2-methoxyethoxy)ethane; dibromonickel

• ChemBase ID: 147255
• Molecular Formular: C6H14Br2NiO3
• Molecular Mass: 352.67496
• Monoisotopic Mass: 349.86631121
• SMILES: COCCOCCOC.[Ni](Br)Br
• Canonical SMILES: COCCOCCOC.Br[Ni]Br
• InChI: InChI=1S/C6H14O3.2BrH.Ni/c1-7-3-5-9-6-4-8-2;;;/h3-6H2,1-2H3;2*1H;/q;;;+2/p-2
• InChIKey: RRSIMIHTHWYRRA-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methoxy-2-(2-methoxyethoxy)ethane; dibromonickel
• IUPAC Traditional name: dibromonickel; diglyme
• Synonyms: Nickel(II) bromide 2-methoxyethyl ether complex; 溴化镍(II) 二乙二醇二甲醚复合物

Database IDs

• CAS Number: 312696-09-6
• MDL Number: MFCD00274339
• PubChem SID: 162241445; 24869583
• PubChem CID: 11428135

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.030598419
• LogD (pH = 7.4): 0.030598419
• Log P: 0.030598419
• Molar Refractivity: 35.0995 cm^3
• Polarizability: 13.889778 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 1325
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 11-20/21/22-36/37/38
• Safety Statements: 26-36/37
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P210-P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, 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 1325 4.1/PG 2

Product Information

• Linear Formula: NiBr2 · O(CH2CH2OCH3)2

DETAILS

Sigma Aldrich - 459674

Packaging
5 g in glass bottle