3,5-dichloro-2-(tributylstannyl)pyrazine

• ChemBase ID: 64157
• Molecular Formular: C16H28Cl2N2Sn
• Molecular Mass: 438.01392
• Monoisotopic Mass: 438.06514827
• SMILES: c1(nc(cnc1[Sn](CCCC)(CCCC)CCCC)Cl)Cl
• Canonical SMILES: CCCC[Sn](c1ncc(nc1Cl)Cl)(CCCC)CCCC
• InChI: InChI=1S/C4HCl2N2.3C4H9.Sn/c5-3-1-7-2-4(6)8-3;3*1-3-4-2;/h1H;3*1,3-4H2,2H3
• InChIKey: IJOQAXKEUUCPAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloro-2-(tributylstannyl)pyrazine
• IUPAC Traditional name: 3,5-dichloro-2-(tributylstannyl)pyrazine
• Synonyms: 2,6-Dichloro-3-(tributylstannyl)pyrazine; 2,6-Dichloro-3-(tributylstannyl)pyrazine; 3-(Tri-n-butylstannyl)-2,6-dichloropyrazine; 2,6-Dichloro-3-(tri-n-butylstannyl)pyrazine; 2-氯-5-(三正丁基锡)嘧啶; 2,6-二氯-3-(三正丁基锡)吡嗪

Database IDs

• CAS Number: 446285-70-7
• MDL Number: MFCD07787382
• PubChem SID: 162029896
• PubChem CID: 2763276

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.9830985
• LogD (pH = 7.4): 4.9831
• Log P: 4.9831
• Molar Refractivity: 91.6219 cm^3
• Polarizability: 39.992508 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >110 °C; >230 °F
• Density: 1.25; 1.260 g/mL at 25 °C
• Refractive Index: n20/D 1.535

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: 36/37/39-45-60-61
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Hazard statements: H301-H312-H315-H319-H372-H400-H410
• GHS Precautionary statements: P280-P273-P309-P310-P501A
• RID/ADR: UN 2788 6.1/PG 3

Product Information

• Purity: 96%; 97%
• Empirical Formula (Hill Notation): C16H28Cl2N2Sn

DETAILS

Sigma Aldrich - 718807

Packaging
1, 5 g in glass bottle
500 mg in glass bottle