dibutyldiphenylstannane

• ChemBase ID: 136984
• Molecular Formular: C20H28Sn
• Molecular Mass: 387.13732
• Monoisotopic Mass: 388.1212949
• SMILES: CCCC[Sn](CCCC)(c1ccccc1)c1ccccc1
• Canonical SMILES: CCCC[Sn](c1ccccc1)(c1ccccc1)CCCC
• InChI: InChI=1S/2C6H5.2C4H9.Sn/c2*1-2-4-6-5-3-1;2*1-3-4-2;/h2*1-5H;2*1,3-4H2,2H3
• InChIKey: DTYWIPLKZHQUMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dibutyldiphenylstannane
• IUPAC Traditional name: dibutyldiphenylstannane
• Synonyms: Di-N-butyldiphenyltin(IV); Dibutyldiphenyltin; 二-N-丁基二苯锡(IV); 二丁基二苯基锡

Database IDs

• CAS Number: 6452-61-5
• EC Number: 229-256-3
• MDL Number: MFCD00031522
• PubChem SID: 24877731; 162231251
• PubChem CID: 80932

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.0902
• LogD (pH = 7.4): 7.0902
• Log P: 7.0902
• Molar Refractivity: 89.8924 cm^3
• Polarizability: 39.93618 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 270 °C(lit.)
• Flash Point: 110 °C; 230 °F
• Density: 1.17 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.562(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2788
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 23/24/25-36/37/38-50/53
• Safety Statements: 26-27-45-60-61
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H315-H319-H331-H335-H400
• GHS Precautionary statements: P261-P273-P280-P301 + P310-P305 + P351 + P338-P311
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2788 6.1/PG 3

Product Information

• Purity: 97%
• Linear Formula: [CH3(CH3)3]2Sn(C6H5)2