lithium(1+) ion tris(1,2-dimethoxyethane) tetraphenylboranuide

• ChemBase ID: 146653
• Molecular Formular: C36H50BLiO6
• Molecular Mass: 596.5306
• Monoisotopic Mass: 596.38604927
• SMILES: [Li+].[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.COCCOC.COCCOC.COCCOC
• Canonical SMILES: c1ccc(cc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.COCCOC.COCCOC.COCCOC.[Li+]
• InChI: InChI=1S/C24H20B.3C4H10O2.Li/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;3*1-5-3-4-6-2;/h1-20H;3*3-4H2,1-2H3;/q-1;;;;+1
• InChIKey: ADYUZFWVPWDPFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion tris(1,2-dimethoxyethane) tetraphenylboranuide
• IUPAC Traditional name: lithium(1+) ion tris(1,2-dimethoxyethane) tetraphenylborate
• Synonyms: Tetraphenylboron lithium tris(1,2-dimethoxyethane); Lithium tetraphenylborate tris(1,2-dimethoxyethane); Tetraphenylboron lithium tris(1,2-dimethoxyethane) adduct; Lithium tetraphenylborate tris(1,2-dimethoxyethane) adduct; 三(1,2-二甲氧基乙烷)四苯基硼酸锂; 四苯硼酸三(1,2-二甲氧基乙基)锂

Database IDs

• CAS Number: 75965-35-4
• MDL Number: MFCD00013311
• PubChem SID: 24857540; 162240846
• PubChem CID: 23681136

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.9088
• LogD (pH = 7.4): 5.9088
• Log P: 5.9088
• Molar Refractivity: 101.8972 cm^3
• Polarizability: 41.872147 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Powder

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1325; UN1325
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 2; III
• Risk Statements: 11-36/37/38
• Safety Statements: 16-26-36/37/39; 7-26-33-37-43-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H315-H319-H335
• GHS Precautionary statements: P210-P241-P305+P351+P338-P302+P352-P405-P501A; P210-P261-P305 + P351 + P338
• 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 2

Product Information

• Purity: 98%
• Linear Formula: (C6H5)4BLi·3CH3O(CH2CH2)OCH3

DETAILS

Sigma Aldrich - 291579

Packaging
5 g in glass bottle
Application

• Reactant for preparation of dinuclear lithium aqua DMSO complex1