dicyclohexyl(iodo)borane

• ChemBase ID: 146370
• Molecular Formular: C12H22BI
• Molecular Mass: 304.01855
• Monoisotopic Mass: 304.0859291
• SMILES: B(C1CCCCC1)(C1CCCCC1)I
• Canonical SMILES: IB(C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/C12H22BI/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
• InChIKey: RWFGGTOYIFQXAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dicyclohexyl(iodo)borane
• IUPAC Traditional name: dicyclohexyl(iodo)borane
• Synonyms: Dicyclohexyliodoborane; Dicyclohexylboryl iodide; Dicyclohexyliodoborane solution; 二环己基碘硼烷; 二环己基碘硼烷 溶液

Database IDs

• CAS Number: 55382-85-9
• MDL Number: MFCD00192014
• PubChem SID: 24866487; 24866084; 162240568
• PubChem CID: 4532507

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.5936
• LogD (pH = 7.4): 5.5936
• Log P: 5.5936
• Molar Refractivity: 66.2022 cm^3
• Polarizability: 28.12179 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 198-200 °C/1.25 mmHg(lit.); 68-69 °C
• Flash Point: -23 °C; 30 °C; 86 °F; -9 °F
• Density: 0.754 g/mL at 25 °C; 1.325 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2920; 2924
• German water hazard class: 3
• Hazard Class: 3; 8
• Packing Group: 2
• Risk Statements: 10; 11-14-20/21/22-34-40
• Safety Statements: 16-26-27-36/37/39-45
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H226
• RID/ADR: UN 2920 8/PG 2; UN 2924 3/PG 2

Product Information

• Purity: 97%
• Concentration: 0.5 M in hexanes
• Linear Formula: (C6H11)2BI

DETAILS

Sigma Aldrich - 416916

Packaging
25 mL in Sure/Seal™
Application
Reactant for:
• Preparation of vinyloxyboranes1

Sigma Aldrich - 423319

Packaging
50 mL in Sure/Seal™
Application
Reactant for:
• Preparation of vinyloxyboranes1