trimethyl(phenyl)stannane

• ChemBase ID: 150307
• Molecular Formular: C9H14Sn
• Molecular Mass: 240.90846
• Monoisotopic Mass: 242.01174445
• SMILES: C[Sn](C)(C)c1ccccc1
• Canonical SMILES: C[Sn](c1ccccc1)(C)C
• InChI: InChI=1S/C6H5.3CH3.Sn/c1-2-4-6-5-3-1;;;;/h1-5H;3*1H3
• InChIKey: COHOGNZHAUOXPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl(phenyl)stannane
• IUPAC Traditional name: trimethyl(phenyl)stannane
• Synonyms: Trimethyl(phenyl)tin; 三甲基(苯基)锡

Database IDs

• CAS Number: 934-56-5
• MDL Number: MFCD00134316
• PubChem SID: 162244468; 24862644
• PubChem CID: 123095

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.8312
• LogD (pH = 7.4): 1.8312
• Log P: 1.8312
• Molar Refractivity: 42.1216 cm^3
• Polarizability: 21.231041 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -51 °C(lit.)
• Boiling Point: 88 °C/16 mmHg(lit.)
• Flash Point: 168.8 °F; 76 °C
• Density: 1.327 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.5357(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 2788
• German water hazard class: 2
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 26/27/28-50/53
• Safety Statements: 26-27-28-45-60-61
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H310-H330-H410
• GHS Precautionary statements: P260-P264-P273-P280-P284-P301 + P310
• 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: 98%
• Linear Formula: C6H5Sn(CH3)3

DETAILS

Sigma Aldrich - 366331

General description
Atomic number of base material: 50 Tin
Packaging
1, 5 g in glass bottle