1,4-dioxane; dichlorogermanylidene

• ChemBase ID: 152924
• Molecular Formular: C4H8Cl2GeO2
• Molecular Mass: 231.65112
• Monoisotopic Mass: 231.91131186
• SMILES: C1COCCO1.Cl[Ge]Cl
• Canonical SMILES: O1CCOCC1.Cl[Ge]Cl
• InChI: InChI=1S/C4H8O2.Cl2Ge/c1-2-6-4-3-5-1;1-3-2/h1-4H2
• InChIKey: NYMJLNHIEKAQSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dioxane; dichlorogermanylidene
• IUPAC Traditional name: dioxane; germanium dichloride
• Synonyms: Germanium(II) chloride dioxane complex (1:1); 锗(II)氯化二噁烷络合物 (1:1)

Database IDs

• CAS Number: 28595-67-7
• PubChem SID: 162247066; 24880680
• PubChem CID: 10857305

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.09395102
• LogD (pH = 7.4): -0.09395102
• Log P: -0.09395102
• Molar Refractivity: 22.087 cm^3
• Polarizability: 8.785985 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: solid

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 20-34-40
• Safety Statements: 22-26-36/37/39-45
• GHS Pictograms: GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H332-H351
• 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

• Empirical Formula (Hill Notation): C4H8Cl2GeO2

DETAILS

Sigma Aldrich - 573515

Packaging
10 g in glass bottle