1-methyl-5-(tributylstannyl)-1H-imidazole

• ChemBase ID: 88982
• Molecular Formular: C16H32N2Sn
• Molecular Mass: 371.13968
• Monoisotopic Mass: 372.15874303
• SMILES: n1cn(C)c(c1)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1cncn1C)(CCCC)CCCC
• InChI: InChI=1S/C4H5N2.3C4H9.Sn/c1-6-3-2-5-4-6;3*1-3-4-2;/h2,4H,1H3;3*1,3-4H2,2H3
• InChIKey: OGYWKJKAIAEDQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-5-(tributylstannyl)-1H-imidazole
• IUPAC Traditional name: 1-methyl-5-(tributylstannyl)imidazole
• Synonyms: 1-Methyl-5-tributylstannanyl-1H-imidazole; (1-Methyl-1H-imidazol-5-yl)tributylstannane; 1-Methyl-5-(tributylstannyl)-1H-imidazole 97%; 1-Methyl-5-(tributylstannyl)imidazole; 5-(Tri-n-butylstannyl)-1-methylimidazole; 1-Methyl-5-(tri-n-butylstannyl)imidazole; 1-甲基-5-(三丁基锡基)咪唑; 1-甲基-5-(三正丁基锡)咪唑

Database IDs

• CAS Number: 147716-03-8
• MDL Number: MFCD01319031
• PubChem SID: 162075868
• PubChem CID: 10915651

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2145631
• LogD (pH = 7.4): 2.843309
• Log P: 3.026
• Molar Refractivity: 80.9948 cm^3
• Polarizability: 36.343033 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 160-164 °C/2 mmHg; 160-164°C/2mm
• Flash Point: >110 °C; >110°C; >230 °F
• Density: 1.220; 1.220 g/mL at 25 °C
• Refractive Index: n20/D 1.510

Safety Information

• Storage Warning: Toxic/Harmful/Store under Argon
• 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: 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: P260-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P273-P280-P301 + P310-P305 + P351 + P338-P314-P501
• RID/ADR: UN 2788 6.1/PG 3

Product Information

• Purity: 90+%; 95%; 97%
• Empirical Formula (Hill Notation): C16H32N2Sn

DETAILS

Sigma Aldrich - 718793

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