tricyclohexylstannanol

• ChemBase ID: 157906
• Molecular Formular: C18H34OSn
• Molecular Mass: 385.16296
• Monoisotopic Mass: 386.16315971
• SMILES: C1CCC(CC1)[Sn](C1CCCCC1)(C1CCCCC1)O
• Canonical SMILES: O[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/3C6H11.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1H,2-6H2;1H2;/q;;;;+1/p-1
• InChIKey: WCMMILVIRZAPLE-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tricyclohexylstannanol
• IUPAC Traditional name: cyhexatin
• Synonyms: Cyhexatin; Cyhexatin; Tricyclohexyltin hydroxide; 三环锡; 三环锡

Database IDs

• CAS Number: 13121-70-5
• EC Number: 236-049-1
• MDL Number: MFCD00078642
• Beilstein Number: 6099492
• PubChem SID: 162252042; 24868884; 24899108
• PubChem CID: 6327054

CALCULATED PROPERTIES

• Acid pKa: 10.444914
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.386195
• LogD (pH = 7.4): 4.385811
• Log P: 4.3862
• Molar Refractivity: 82.7807 cm^3
• Polarizability: 37.664257 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >100 °C; >212 °F

Safety Information

• RTECS: WH8750000
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 1
• Risk Statements: 20/21/22-50/53
• Safety Statements: 13-60-61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H332-H410
• GHS Precautionary statements: P273-P280-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2811 6.1/PG 1
• Storage Temperature: 2-8°C

Product Information

• Grade: analytical standard; PESTANAL®, analytical standard
• Packaging: ampule of 250 mg
• Empirical Formula (Hill Notation): C18H34OSn

DETAILS

Sigma Aldrich - 45411

Legal Information
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