azidotributylstannane

• ChemBase ID: 87267
• Molecular Formular: C12H27N3Sn
• Molecular Mass: 332.06388
• Monoisotopic Mass: 333.12269188
• SMILES: [Sn](CCCC)(CCCC)(CCCC)N=[N+]=[N-]
• Canonical SMILES: CCCC[Sn](N=[N+]=[N-])(CCCC)CCCC
• InChI: InChI=1S/3C4H9.N3.Sn/c3*1-3-4-2;1-3-2;/h3*1,3-4H2,2H3;;/q;;;-1;+1
• InChIKey: JKVRTUCVPZTEQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: azidotributylstannane
• IUPAC Traditional name: tributyltin azide
• Synonyms: Azidotributyltin(IV); Tributyltin azide; Azidotributyltin(IV); Tri-n-butylazidotin; Tributyltin azide; Azidotributyltin; Azidotributylstannane; Nsc179738; 三正丁基叠氮化锡

Database IDs

• CAS Number: 17846-68-3
• MDL Number: MFCD00216557
• PubChem SID: 162074378; 24861678
• PubChem CID: 4984872
• Wikipedia Title: Tributyltin_azide

CALCULATED PROPERTIES

• Acid pKa: 5.5985208
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.557
• LogD (pH = 7.4): 4.557
• Log P: 4.6171
• Molar Refractivity: 69.749 cm^3
• Polarizability: 30.51445 Å^3
• Polar Surface Area: 29.43 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Reacts in water
• Apperance: Colorless to light yellow liquid or white solid
• Boiling Point: 120 °C at 0.2 mmHg
• Flash Point: >110 °C; 113 °C; 113°C; 235.4 °F
• Density: 1.212; 1.212 g/mL; 1.212 g/mL at 25 °C(lit.)

Safety Information

• Storage Warning: Toxic
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2788
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 21-25-36/38-48/23/25-50/53; R21 R23 R25 R36 R38 R48 R50 R53
• Safety Statements: 36/37/39-45-60-61; S35 S36 S37 S39 S45 S60 S61
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• LD50: 400 mg/kg (oral, rat)
• GHS Hazard statements: H301-H312-H315-H319-H372-H410
• GHS Precautionary statements: P273-P280-P301 + P310-P305 + P351 + P338-P314-P501
• 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: 98%
• Linear Formula: [CH3(CH2)3]3SnN3

DETAILS

Sigma Aldrich - 349453

Packaging
1, 5 g in glass bottle