chlorotricyclohexylstannane

• ChemBase ID: 150726
• Molecular Formular: C18H33ClSn
• Molecular Mass: 403.60862
• Monoisotopic Mass: 404.12927274
• SMILES: C1CCC(CC1)[Sn](C1CCCCC1)(C1CCCCC1)Cl
• Canonical SMILES: Cl[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/3C6H11.ClH.Sn/c3*1-2-4-6-5-3-1;;/h3*1H,2-6H2;1H;/q;;;;+1/p-1
• InChIKey: OJVZYIKTLISAIH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorotricyclohexylstannane
• IUPAC Traditional name: tricyclohexyl tin chloride
• Synonyms: Chlorotricyclohexyltin; Tricyclohexyltin chloride; 氯化三环己基锡; 三环己基氯化锡

Database IDs

• CAS Number: 3091-32-5
• EC Number: 221-437-5
• MDL Number: MFCD00003817
• PubChem SID: 162244887; 24871721
• PubChem CID: 76539

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.5569
• LogD (pH = 7.4): 5.5569
• Log P: 5.5569
• Molar Refractivity: 86.3524 cm^3
• Polarizability: 38.855312 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 123-125 °C(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3146
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 20/21/22-50/53
• Safety Statements: 26-28-60-61
• 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, Gloves
• RID/ADR: UN 3146 6.1/PG 3

Product Information

• Purity: 97%
• Linear Formula: (C6H11)3SnCl

DETAILS

Sigma Aldrich - 480827

Packaging
5 g in glass bottle