trimethyl(2-phenylethynyl)stannane

• ChemBase ID: 145729
• Molecular Formular: C11H14Sn
• Molecular Mass: 264.92986
• Monoisotopic Mass: 266.01174445
• SMILES: C[Sn](C)(C)C#Cc1ccccc1
• Canonical SMILES: C[Sn](C#Cc1ccccc1)(C)C
• InChI: InChI=1S/C8H5.3CH3.Sn/c1-2-8-6-4-3-5-7-8;;;;/h3-7H;3*1H3
• InChIKey: QYYZHXHYNLXWAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl(2-phenylethynyl)stannane
• IUPAC Traditional name: trimethyl(2-phenylethynyl)stannane
• Synonyms: Trimethyl(phenylethynyl)tin; 三甲基(苯乙炔基)锡

Database IDs

• CAS Number: 1199-95-7
• MDL Number: MFCD00239505
• PubChem SID: 162239932; 24866905
• PubChem CID: 2734139

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.2958
• LogD (pH = 7.4): 5.2958
• Log P: 5.2958
• Molar Refractivity: 46.2946 cm^3
• Polarizability: 23.787174 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 3146
• 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: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 3146 6.1/PG 3

Product Information

• Purity: 97%
• Linear Formula: C6H5C≡CSn(CH3)3

DETAILS

Sigma Aldrich - 429953

Packaging
1 g in glass bottle