triphenyl(prop-2-en-1-yl)stannane

• ChemBase ID: 145331
• Molecular Formular: C21H20Sn
• Molecular Mass: 391.0845
• Monoisotopic Mass: 392.05869464
• SMILES: C=CC[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: C=CC[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/3C6H5.C3H5.Sn/c3*1-2-4-6-5-3-1;1-3-2;/h3*1-5H;3H,1-2H2
• InChIKey: NDUYAGLANMHJHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: triphenyl(prop-2-en-1-yl)stannane
• IUPAC Traditional name: stannane, allyltriphenyl-
• Synonyms: 2-Propenyl-triphenylstannane; Allyltriphenyltin; Allyltriphenylstannane; 2-丙烯基-三苯基锡; 丙烯基三苯基锡; 烯丙基三苯基锡

Database IDs

• CAS Number: 76-63-1
• EC Number: 200-975-4
• MDL Number: MFCD00048162
• Beilstein Number: 3612762
• PubChem SID: 24859890; 162239537
• PubChem CID: 6452

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.4827
• LogD (pH = 7.4): 5.4827
• Log P: 5.4827
• Molar Refractivity: 91.1839 cm^3
• Polarizability: 40.08031 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 71-74 °C(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 3146
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 23/24/25-50/53
• Safety Statements: 26-27-28-45-60-61
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H331-H410
• GHS Precautionary statements: P261-P273-P280-P301 + P310-P311-P501
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• RID/ADR: UN 3146 6.1/PG 3

Product Information

• Purity: 97%
• Linear Formula: CH2=CHCH2Sn(C6H5)3

DETAILS

Sigma Aldrich - 332364

Packaging
50 g in poly bottle