2,2-dibutyl-4,7-dihydro-2H-1,3,2-dioxastannepine-4,7-dione

• ChemBase ID: 108371
• Molecular Formular: C12H20O4Sn
• Molecular Mass: 346.9858
• Monoisotopic Mass: 348.03835312
• SMILES: CCCC[Sn]1(CCCC)OC(=O)C=CC(=O)O1
• Canonical SMILES: CCCC[Sn]1(CCCC)OC(=O)C=CC(=O)O1
• InChI: InChI=1S/C4H4O4.2C4H9.Sn/c5-3(6)1-2-4(7)8;2*1-3-4-2;/h1-2H,(H,5,6)(H,7,8);2*1,3-4H2,2H3;/q;;;+2/p-2/b2-1-
• InChIKey: ZBBLRPRYYSJUCZ-GRHBHMESSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dibutyl-4,7-dihydro-2H-1,3,2-dioxastannepine-4,7-dione
• IUPAC Traditional name: 2,2-dibutyl-1,3,2-dioxastannepine-4,7-dione
• Synonyms: Dibutyltin maleate; DIBUTYL TIN MALEATE; 马来酸二丁基锡

Database IDs

• CAS Number: 78-04-6
• EC Number: 201-077-5; 231-141-8
• MDL Number: MFCD00014120
• PubChem SID: 24867599; 162094138
• PubChem CID: 16684310

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3624
• LogD (pH = 7.4): 2.3624
• Log P: 2.3624
• Molar Refractivity: 62.2244 cm^3
• Polarizability: 29.026785 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 135-140 °C(lit.)

Safety Information

• RTECS: JH4735000
• European Hazard Symbols: Nature polluting (N); Highly toxic (T+); Irritant (Xi)
• UN Number: 3146
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 24/25-26-36/37/38-50/53; R:36/37/38
• Safety Statements: 26-28-36/37-45-60-61; S:20-25-26-37/39
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H315-H319-H330-H335-H400
• GHS Precautionary statements: P260-P273-P280-P284-P305 + P351 + P338-P310
• Personal Protective Equipment: 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

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C12H20O4Sn

DETAILS

MP Biomedicals - 05207126

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 440477

Packaging
50 g in glass bottle