trichloro(phenyl)stannane

• ChemBase ID: 148083
• Molecular Formular: C6H5Cl3Sn
• Molecular Mass: 302.1639
• Monoisotopic Mass: 301.8478772
• SMILES: c1ccc(cc1)[Sn](Cl)(Cl)Cl
• Canonical SMILES: Cl[Sn](c1ccccc1)(Cl)Cl
• InChI: InChI=1S/C6H5.3ClH.Sn/c1-2-4-6-5-3-1;;;;/h1-5H;3*1H;/q;;;;+3/p-3
• InChIKey: UBOGEXSQACVGEC-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloro(phenyl)stannane
• IUPAC Traditional name: phenyltin trichloride
• Synonyms: Trichlorophenylstannane; Phenyltin trichloride; 三氯苯基锡; 苯基三氯化锡

Database IDs

• CAS Number: 1124-19-2
• EC Number: 214-393-3
• MDL Number: MFCD00000513
• PubChem SID: 24856745; 162242260
• PubChem CID: 14298

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.8057
• LogD (pH = 7.4): 0.8057
• Log P: 0.8057
• Molar Refractivity: 43.8832 cm^3
• Polarizability: 21.596996 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 142-143 °C/25 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 1.839 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.585(lit.)

Safety Information

• RTECS: WH8730000
• European Hazard Symbols: Corrosive (C)
• UN Number: 3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-27-28-36/37/39-45
• GHS Pictograms: GHS05; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H400
• GHS Precautionary statements: P273-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 2

Product Information

• Purity: 98%
• Linear Formula: C6H5SnCl3

DETAILS

Sigma Aldrich - 277231

Packaging
5, 25 g in glass bottle