1,2-dimethoxyethane; dibromonickel

• ChemBase ID: 150592
• Molecular Formular: C4H10Br2NiO2
• Molecular Mass: 308.6224
• Monoisotopic Mass: 305.84009646
• SMILES: COCCOC.[Ni](Br)Br
• Canonical SMILES: COCCOC.Br[Ni]Br
• InChI: InChI=1S/C4H10O2.2BrH.Ni/c1-5-3-4-6-2;;;/h3-4H2,1-2H3;2*1H;/q;;;+2/p-2
• InChIKey: VHSVJTYBTJCDFL-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dimethoxyethane; dibromonickel
• IUPAC Traditional name: 1,2-dimethoxyethane; dibromonickel
• Synonyms: Nickel(II) bromide ethylene glycol dimethyl ether complex; 乙二醇二甲醚溴化镍

Database IDs

• CAS Number: 28923-39-9
• MDL Number: MFCD00013480
• PubChem SID: 162244753; 24865368
• PubChem CID: 6098672

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.077573925
• LogD (pH = 7.4): 0.077573925
• Log P: 0.077573925
• Molar Refractivity: 24.056 cm^3
• Polarizability: 9.497826 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder
• Flash Point: 123.8 °F; 51 °C

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: 16-22-26-36/37/39-45
• 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: dust mask type N95 (US), 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

• Purity: 97%
• Linear Formula: NiBr2 · CH3OCH2CH2OCH3

DETAILS

Sigma Aldrich - 406341

Packaging
1, 5 g in glass bottle