butylstannanetris(ylium) trichloride

• ChemBase ID: 303848
• Molecular Formular: C4H9Cl3Sn
• Molecular Mass: 282.17426
• Monoisotopic Mass: 281.87917733
• SMILES: CCCC[Sn+3].[Cl-].[Cl-].[Cl-]
• Canonical SMILES: CCCC[Sn+3].[Cl-].[Cl-].[Cl-]
• InChI: InChI=1S/C4H9.3ClH.Sn/c1-3-4-2;;;;/h1,3-4H2,2H3;3*1H;/q;;;;+3/p-3
• InChIKey: YMLFYGFCXGNERH-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: butylstannanetris(ylium) trichloride
• IUPAC Traditional name: butylstannanetris(ylium) trichloride
• Synonyms: n-Butyltrichlorotin; Trichloro-n-butyltin; n-Butyltin trichloride; 正丁基三氯化锡

Database IDs

• CAS Number: 1118-46-3
• EC Number: 214-263-6
• MDL Number: MFCD00000515

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.8429
• LogD (pH = 7.4): 0.8429
• Log P: 0.8429
• Molar Refractivity: 19.4719 cm^3
• Polarizability: 12.616501 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Melting Point: -63°C
• Boiling Point: 98°C/10mm
• Flash Point: 81°C(178°F)
• Density: 1.693
• Refractive Index: 1.5244

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: WH6780000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN3265
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 21-34-48/23/25-50/53
• Safety Statements: 26-35-36/37/39-45-60-61
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS08; GHS09
• GHS Hazard statements: H311-H372-H314-H318-H400-H410-H227-H303
• GHS Precautionary statements: P210-P303+P361+P353-P305+P351+P338-P361-P405-P501A

Product Information

• Purity: 96%