2-(tributylstannyl)-1,3-thiazole

• ChemBase ID: 10567
• Molecular Formular: C15H29NSSn
• Molecular Mass: 374.16346
• Monoisotopic Mass: 375.10426493
• SMILES: s1c(ncc1)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1nccs1)(CCCC)CCCC
• InChI: InChI=1S/3C4H9.C3H2NS.Sn/c3*1-3-4-2;1-2-5-3-4-1;/h3*1,3-4H2,2H3;1-2H
• InChIKey: WUOFQGMXQCSPPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(tributylstannyl)-1,3-thiazole
• IUPAC Traditional name: 2-(tributylstannyl)-1,3-thiazole
• Synonyms: (1,3-Thiazol-2-yl)tributylstannane; 2-(Tributylstannyl)-1,3-thiazole 95+%; 2-Tributylstannylthiazole; 2-Tributylstannylthiazole; Tri-n-butyl-2-thiazolyltin; 2-(Tri-n-butylstannyl)thiazole; 2-(TRIBUTYLSTANNYL)THIAZOLE; 2-三丁基甲锡烷基噻唑; 2-(三正丁基甲锡烷基)噻唑

Database IDs

• CAS Number: 121359-48-6
• MDL Number: MFCD01319057
• PubChem SID: 160973874; 24883202
• PubChem CID: 2763259

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.3830094
• LogD (pH = 7.4): 4.390602
• Log P: 4.3907
• Molar Refractivity: 78.5717 cm^3
• Polarizability: 35.57501 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 307-309 °C(lit.); 307-309°C; 307-309°C
• Flash Point: >110 °C; >110°C; >230 °F
• Density: 1.19; 1.190; 1.1900 g/mL at 25 °C(lit.)
• Refractive Index: 1.5200; n20/D 1.5200(lit.)

Safety Information

• Storage Warning: IRRITANT, KEEP COLD, TOXIC; Toxic/Harmful/Irritant
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2788; UN2788
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2; III
• Risk Statements: 21-25-36/38-48/23/25-50/53
• Safety Statements: 35-36/37/39-45-60-61
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H312-H315-H319-H372-H400; H301-H312-H315-H319-H372-H400-H410
• GHS Precautionary statements: P273-P280-P301 + P310-P305 + P351 + P338-P314; P280-P273-P309-P310-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2788 6.1/PG 2

Product Information

• Purity: 95%; 96%; 97%; 98%
• Empirical Formula (Hill Notation): C15H29NSSn

DETAILS

Sigma Aldrich - 642541

Application
Reagent for arylation of thiazole by Stille cross-coupling.1
Packaging
1, 5 g in glass bottle