triphenylstannanol

• ChemBase ID: 111511
• Molecular Formular: C18H16OSn
• Molecular Mass: 367.02004
• Monoisotopic Mass: 368.02230913
• SMILES: O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/3C6H5.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H2;/q;;;;+1/p-1
• InChIKey: BFWMWWXRWVJXSE-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: triphenylstannanol
• IUPAC Traditional name: triphenyltin hydroxide
• Synonyms: TRIPHENYL TIN HYDROXIDE; Hydroxytriphenylstannane; NSC 113243; Fentin hydroxide; Triphenyltin hydroxide; Triphenyltin hydroxide; Fentin hydroxide; Triphenyltin hydroxide; 毒菌锡; 三苯基氢氧化锡; 三苯基氢氧化锡; 毒菌锡

Database IDs

• CAS Number: 76-87-9
• EC Number: 200-990-6; 231-141-8
• MDL Number: MFCD00013928
• Beilstein Number: 4139186
• PubChem SID: 24861551; 162096705; 24868996; 24899088
• PubChem CID: 6327657
• CHEBI ID: 30473
• CHEMBL: 506538
• Chemspider ID: 21106510
• Wikipedia Title: Triphenyltin_hydroxide

CALCULATED PROPERTIES

• Acid pKa: 8.4925585
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6099608
• LogD (pH = 7.4): 2.5768435
• Log P: 2.6104
• Molar Refractivity: 78.9875 cm^3
• Polarizability: 35.43599 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 124°C; 124-126 °C(lit.)

Safety Information

• RTECS: WH8575000
• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 3146
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 63-24/25-26-37/38-40-41-48/23-50/53; R:24/25-26-36/38-50/53
• Safety Statements: 26-28-36/37/39-45-60-61; S:45-60-61-36/37
• GHS Pictograms: GHS05; GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H315-H318-H330-H335-H351-H361d-H372-H410; H301-H311-H315-H318-H330-H335-H351-H361-H372-H410
• GHS Precautionary statements: P260-P273-P280-P284-P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges; 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 3146 6.1/PG 2
• Storage Temperature: 2-8°C

Product Information

• Grade: analytical standard; PESTANAL®, analytical standard
• Packaging: ampule of 500 mg
• Linear Formula: (C6H5)3SnOH
• Empirical Formula (Hill Notation): C18H16OSn

DETAILS

MP Biomedicals - 05219586

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 348104

Packaging
25, 100 g in glass bottle
Application
Reactant involved in transmetalation reactions with Ir clusters1Reactant involved in synthesis of:
• (E)-(Nitrophenyl)propenoic acid organotin(IV) carboxylates with antitumor activity2
• Triorganotin chrysanthemumates for larvicidal studies3
• Polynuclear organotin(IV) carboxylates containing ferrocenyl moieties for antitumor investigation4
• Organotin(IV) aminophenylacrylate complexes5
• 4-Biphenylcarboxylic acid derivatives for in vitro cytotoxicity studies6

Sigma Aldrich - 45493

Legal Information
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