bromotributylstannane

• ChemBase ID: 146484
• Molecular Formular: C12H27BrSn
• Molecular Mass: 369.94778
• Monoisotopic Mass: 370.03180686
• SMILES: CCCC[Sn](CCCC)(CCCC)Br
• Canonical SMILES: CCCC[Sn](CCCC)(CCCC)Br
• InChI: InChI=1S/3C4H9.BrH.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q;;;;+1/p-1
• InChIKey: FVRKTAOFDKFAMI-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromotributylstannane
• IUPAC Traditional name: stannane, tributylbromo-
• Synonyms: Bromotributyltin; Tributyltin bromide; 溴化三正丁锡; 三正丁基溴化锡

Database IDs

• CAS Number: 1461-23-0
• EC Number: 215-959-2
• MDL Number: MFCD00010660
• PubChem SID: 162240680; 24855614
• PubChem CID: 305767

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.83
• LogD (pH = 7.4): 4.83
• Log P: 4.83
• Molar Refractivity: 67.6129 cm^3
• Polarizability: 30.965733 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 120-122 °C/2 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 1.338 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.507(lit.)

Safety Information

• RTECS: WH6735000
• European Hazard Symbols: Highly toxic (T+)
• UN Number: 2922
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 26/27/28-34
• Safety Statements: 23-26-36/37/39-45
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H310-H314-H330
• GHS Precautionary statements: P260-P280-P284-P301 + P310-P302 + P350-P305 + P351 + P338
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2922 8/PG 2

Product Information

• Purity: 90%
• Grade: technical grade
• Linear Formula: [CH3(CH2)3]3SnBr

DETAILS

Sigma Aldrich - 257893

Packaging
5 g in glass bottle