1,2-dimethoxyethane; dichloronickel

• ChemBase ID: 140894
• Molecular Formular: C4H10Cl2NiO2
• Molecular Mass: 219.7204
• Monoisotopic Mass: 217.94112782
• SMILES: COCCOC.Cl[Ni]Cl
• Canonical SMILES: COCCOC.Cl[Ni]Cl
• InChI: InChI=1S/C4H10O2.2ClH.Ni/c1-5-3-4-6-2;;;/h3-4H2,1-2H3;2*1H;/q;;;+2/p-2
• InChIKey: OCMNCWNTDDVHFK-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dimethoxyethane; dichloronickel
• IUPAC Traditional name: 1,2-dimethoxyethane; nickel chloride
• Synonyms: Dichloro(dimethoxyethane)nickel; NiCl2 glyme; Nickel(II) chloride ethylene glycol dimethyl ether complex; NiCl2 甘醇二甲醚; 氯化镍(II)乙二醇二甲基醚络合物

Database IDs

• CAS Number: 29046-78-4
• MDL Number: MFCD00013481
• PubChem SID: 162235132
• PubChem CID: 15773433

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

• Melting Point: >300 °C

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 3130
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 3
• Risk Statements: 45-25-36/38-43-50/53
• Safety Statements: 53-26-36/37-45-60-61
• GHS Pictograms: GHS02; GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H261-H301-H315-H319-H334-H350-H400
• GHS Precautionary statements: P201-P231 + P232-P261-P273-P301 + P310-P422
• 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 3130 4.3/PG 3

Product Information

• Purity: 98%
• Linear Formula: NiCl2:CH3OCH2CH2OCH3

DETAILS

Sigma Aldrich - 696668

Packaging
1, 5 g in glass bottle