2,2-dibutyl-1,3,2-dioxastannolane

• ChemBase ID: 143545
• Molecular Formular: C10H22O2Sn
• Molecular Mass: 292.98148
• Monoisotopic Mass: 294.06417394
• SMILES: CCCC[Sn]1(OCCO1)CCCC
• Canonical SMILES: CCCC[Sn]1(CCCC)OCCO1
• InChI: InChI=1S/2C4H9.C2H4O2.Sn/c2*1-3-4-2;3-1-2-4;/h2*1,3-4H2,2H3;1-2H2;/q;;-2;+2
• InChIKey: STWBEJNHFFEKHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dibutyl-1,3,2-dioxastannolane
• IUPAC Traditional name: 2,2-dibutyl-1,3,2-dioxastannolane
• Synonyms: 2,2-Dibutyl-[1,3,2]dioxastannolane; 2,2-二丁基-[1,3,2]二氧锡

Database IDs

• CAS Number: 3590-59-8
• EC Number: 222-732-1
• MDL Number: MFCD16876785
• PubChem SID: 162237763
• PubChem CID: 16683943

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.903
• LogD (pH = 7.4): 0.903
• Log P: 0.903
• Molar Refractivity: 51.5974 cm^3
• Polarizability: 25.316952 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 231-236 °C

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 3146
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 25
• Safety Statements: 45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H300
• GHS Precautionary statements: P264-P301 + P310
• RID/ADR: UN 3146 6.1/PG 2

Product Information

• Purity: 96%
• Empirical Formula (Hill Notation): C10H22O2Sn

DETAILS

Sigma Aldrich - 725374

Packaging
5, 10 g in glass bottle