chlorotris(2H5)phenylstannane

• ChemBase ID: 135351
• Molecular Formular: C18H15ClSn
• Molecular Mass: 385.4657
• Monoisotopic Mass: 385.98842216
• SMILES: c1ccc(cc1)[Sn](c1ccccc1)(c1ccccc1)Cl
• Canonical SMILES: Cl[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/3C6H5.ClH.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H;/q;;;;+1/p-1
• InChIKey: NJVOZLGKTAPUTQ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorotris(^2H₅)phenylstannane
• IUPAC Traditional name: chlorotris(^2H₅)phenylstannane
• Synonyms: Triphenyl-d15-tin chloride; 三苯基-d15-氯化锡

Database IDs

• CAS Number: 358731-94-9
• MDL Number: MFCD01861652
• PubChem SID: 162229625
• PubChem CID: 12309476

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7811
• LogD (pH = 7.4): 3.7811
• Log P: 3.7811
• Molar Refractivity: 82.5592 cm^3
• Polarizability: 36.693016 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 108 °C(lit.)
• Boiling Point: 240 °C/13.5 mmHg(lit.)
• Mass Shift: M+15

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 3

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 400.27 by atom % calculation
• Linear Formula: (C6D5)3SnCl

DETAILS

Sigma Aldrich - 615625

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.