dibromodibutylstannane

• ChemBase ID: 137365
• Molecular Formular: C8H18Br2Sn
• Molecular Mass: 392.73752
• Monoisotopic Mass: 391.87971858
• SMILES: CCCC[Sn](CCCC)(Br)Br
• Canonical SMILES: CCCC[Sn](CCCC)(Br)Br
• InChI: InChI=1S/2C4H9.2BrH.Sn/c2*1-3-4-2;;;/h2*1,3-4H2,2H3;2*1H;/q;;;;+2/p-2
• InChIKey: QSHZUFRQHSINTB-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dibromodibutylstannane
• IUPAC Traditional name: dibutyl tin dibromide
• Synonyms: Dibromodibutyltin; Dibutyltin dibromide; 二溴化二丁锡; 二丁基二溴化锡

Database IDs

• CAS Number: 996-08-7
• MDL Number: MFCD00000050
• PubChem SID: 162231628; 24855615
• PubChem CID: 93569

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.5676
• LogD (pH = 7.4): 2.5676
• Log P: 2.5676
• Molar Refractivity: 56.943 cm^3
• Polarizability: 26.807371 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 20 °C(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 1.739 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.545(lit.)

Safety Information

• RTECS: WH6882000
• European Hazard Symbols: Corrosive (C)
• UN Number: 3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 20/21/22-34
• Safety Statements: 26-27-28-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302 + H312 + H332-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 3265 8/PG 2

Product Information

• Purity: 98%
• Linear Formula: [CH3(CH2)3]2SnBr2