4-bromo-2-(tributylstannyl)-1,3-thiazole

• ChemBase ID: 64216
• Molecular Formular: C15H28BrNSSn
• Molecular Mass: 453.05952
• Monoisotopic Mass: 453.0147769
• SMILES: n1c(scc1Br)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1scc(n1)Br)(CCCC)CCCC
• InChI: InChI=1S/3C4H9.C3HBrNS.Sn/c3*1-3-4-2;4-3-1-6-2-5-3;/h3*1,3-4H2,2H3;1H
• InChIKey: ZBBDCVVDIHDNRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2-(tributylstannyl)-1,3-thiazole
• IUPAC Traditional name: 4-bromo-2-(tributylstannyl)-1,3-thiazole
• Synonyms: 4-Bromo-2-(tributylstannyl)-1,3-thiazole; 4-Bromo-2-(tributylstannyl)thiazole; 4-Bromo-2-(tributylstannyl)thiazole; 4-Bromo-2-(tri-n-butylstannyl)thiazole; 4-溴-2-(三丁基甲锡烷基)噻唑; 4-溴-2-(三正丁基锡)噻唑

Database IDs

• CAS Number: 173978-98-8
• MDL Number: MFCD09025792
• PubChem SID: 162029955
• PubChem CID: 11048687

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.5799356
• LogD (pH = 7.4): 5.579999
• Log P: 5.58
• Molar Refractivity: 87.0367 cm^3
• Polarizability: 38.563538 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: >110 °C; >230 °F
• Density: 1.314 g/mL at 25 °C
• Refractive Index: n20/D 1.527

Safety Information

• Storage Warning: IRRITANT; Toxic
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2788; UN2788
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 21-25-36/38-48/23/25-50/53
• Safety Statements: 35-36/37/39-45-60-61; 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-H410; H301-H312-H315-H319-H372-H410
• GHS Precautionary statements: P273-P280-P301 + P310-P305 + P351 + P338-P314-P501; 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 3

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C15H28BrNSSn

DETAILS

Sigma Aldrich - 706965

Packaging
1 g in glass bottle
500 mg in glass bottle