tributylstannanecarbonitrile

• ChemBase ID: 146387
• Molecular Formular: C13H27NSn
• Molecular Mass: 316.06118
• Monoisotopic Mass: 317.11654387
• SMILES: CCCC[Sn](CCCC)(CCCC)C#N
• Canonical SMILES: CCCC[Sn](C#N)(CCCC)CCCC
• InChI: InChI=1S/3C4H9.CN.Sn/c3*1-3-4-2;1-2;/h3*1,3-4H2,2H3
• InChIKey: GMYAQHAKWKXYHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tributylstannanecarbonitrile
• IUPAC Traditional name: tributylstannanecarbonitrile
• Synonyms: Tributyltin cyanide; 三正丁基锡氰化物

Database IDs

• CAS Number: 2179-92-2
• MDL Number: MFCD00009698
• PubChem SID: 162240584; 24854084
• PubChem CID: 200512

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.4688
• LogD (pH = 7.4): 6.4688
• Log P: 6.4688
• Molar Refractivity: 65.0713 cm^3
• Polarizability: 29.881603 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 105-107 °C(lit.)

Safety Information

• RTECS: WH6792000
• European Hazard Symbols: Toxic (T)
• UN Number: 3146
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 23/24/25-36/37/38-52/53
• Safety Statements: 22-26-36/37/39-45-61
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H315-H319-H331-H335-H412
• GHS Precautionary statements: P261-P273-P280-P301 + P310-P305 + P351 + P338-P311
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 3146 6.1/PG 2

Product Information

• Purity: 97%
• Linear Formula: [CH3(CH2)3]3SnCN

DETAILS

Sigma Aldrich - 235164

Packaging
10 g in glass bottle