manganese(2+) ion bis(naphthalene-2-carboxylate)

• ChemBase ID: 108829
• Molecular Formular: C22H14MnO4
• Molecular Mass: 397.282209
• Monoisotopic Mass: 397.02725403
• SMILES: [Mn+2].[O-]C(=O)c1ccc2ccccc2c1.[O-]C(=O)c1ccc2ccccc2c1
• Canonical SMILES: [O-]C(=O)c1ccc2c(c1)cccc2.[O-]C(=O)c1ccc2c(c1)cccc2.[Mn+2]
• InChI: InChI=1S/2C11H8O2.Mn/c2*12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;/h2*1-7H,(H,12,13);/q;;+2/p-2
• InChIKey: SGGOJYZMTYGPCH-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: manganese(2+) ion bis(naphthalene-2-carboxylate)
• IUPAC Traditional name: manganese(II) bis(2-naphthoate); manganese(2+) ion bis(2-naphthoate)
• Synonyms: MANGANESE NAPHTHENATE; Manganese(II) naphthenate; 环烷酸锰(II)

Database IDs

• CAS Number: 1336-93-2
• EC Number: 215-650-2
• MDL Number: MFCD00147533
• PubChem SID: 162094708
• PubChem CID: 25021872

CALCULATED PROPERTIES

• Acid pKa: 3.9893572
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1006031
• LogD (pH = 7.4): -0.5448371
• Log P: 2.6203055
• Molar Refractivity: 60.6015 cm^3
• Polarizability: 20.10069 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Flash Point: 40°C(104°F)

Safety Information

• RTECS: QK8985000
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: UN1993
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-36/37/38; R:10
• Safety Statements: 26; S:9-16-29
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 56% w/w in mineral spirits, 6-10% Mn

DETAILS

MP Biomedicals - 05208894

MP Biomedicals Rare Chemical collection