strontium(2+) ion bis(1,2,3,5-tetramethyl-4-propylcyclopenta-2,4-dien-1-ide) 1,2-dimethoxyethane

• ChemBase ID: 140206
• Molecular Formular: C28H48O2Sr
• Molecular Mass: 504.29952
• Monoisotopic Mass: 504.27104278
• SMILES: CCCC1=C([C-](C(=C1C)C)C)C.CCCC1=C([C-](C(=C1C)C)C)C.COCCOC.[Sr+2]
• Canonical SMILES: CCCC1=C(C)[C-](C(=C1C)C)C.CCCC1=C(C)[C-](C(=C1C)C)C.COCCOC.[Sr+2]
• InChI: InChI=1S/2C12H19.C4H10O2.Sr/c2*1-6-7-12-10(4)8(2)9(3)11(12)5;1-5-3-4-6-2;/h2*6-7H2,1-5H3;3-4H2,1-2H3;/q2*-1;;+2
• InChIKey: LUEBXRMBCZRDLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: strontium(2+) ion bis(1,2,3,5-tetramethyl-4-propylcyclopenta-2,4-dien-1-ide) 1,2-dimethoxyethane
• IUPAC Traditional name: strontium(2+) ion bis(1,2,3,5-tetramethyl-4-propylcyclopenta-2,4-dien-1-ide) 1,2-dimethoxyethane
• Synonyms: Bis(propyltetramethylcyclopentadienyl)strontium(II) DME Adduct; 双(丙基四甲基环戊二烯)锶(II) DME 加合物

Database IDs

• MDL Number: MFCD00269844
• PubChem SID: 162234450
• PubChem CID: 71310386

CALCULATED PROPERTIES

• Polarizability: 21.353193 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false
• Acid pKa: 16.551268
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6486015
• LogD (pH = 7.4): 3.6486015
• Log P: 5.1159
• Molar Refractivity: 56.123 cm^3

PROPERTIES

Physical Property

• Flash Point: 129.2 °F; 54 °C

Safety Information

• European Hazard Symbols: Flammable (F)
• UN Number: 1325
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 3
• Risk Statements: 11
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H228
• GHS Precautionary statements: P210
• 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 3

Product Information

• Empirical Formula (Hill Notation): C28H48O2Sr

DETAILS

Sigma Aldrich - 663352

Packaging
2 g in glass bottle