tetrabutylazanium trichlorogallane chloride

• ChemBase ID: 134536
• Molecular Formular: C16H36Cl4GaN
• Molecular Mass: 453.99874
• Monoisotopic Mass: 451.08575888
• SMILES: CCCC[N+](CCCC)(CCCC)CCCC.[Cl-].Cl[Ga](Cl)Cl
• Canonical SMILES: Cl[Ga](Cl)Cl.CCCC[N+](CCCC)(CCCC)CCCC.[Cl-]
• InChI: InChI=1S/C16H36N.4ClH.Ga/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;;/h5-16H2,1-4H3;4*1H;/q+1;;;;;+3/p-4
• InChIKey: NJDKPPVNTQCZFA-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrabutylazanium trichlorogallane chloride
• IUPAC Traditional name: gallium trichloride tetrabutylammonium chloride
• Synonyms: Tetrabutylammonium tetrachlorogallate; 四丁基四氯镓酸铵

Database IDs

• CAS Number: 38555-81-6
• MDL Number: MFCD04974086
• PubChem SID: 24880819; 162228812
• PubChem CID: 16217309

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.3234289
• LogD (pH = 7.4): 1.3234289
• Log P: 1.3234289
• Molar Refractivity: 91.3961 cm^3
• Polarizability: 31.734425 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 131-134 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3263
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• 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 3263 8/PG 2

Product Information

• Purity: 99.999%
• Empirical Formula (Hill Notation): C16H36Cl4GaN