butyldichloroborane

• ChemBase ID: 138780
• Molecular Formular: C4H9BCl2
• Molecular Mass: 138.83126
• Monoisotopic Mass: 138.01743605
• SMILES: B(CCCC)(Cl)Cl
• Canonical SMILES: CCCCB(Cl)Cl
• InChI: InChI=1S/C4H9BCl2/c1-2-3-4-5(6)7/h2-4H2,1H3
• InChIKey: ZVBWAGCLIHFWIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butyldichloroborane
• IUPAC Traditional name: butyldichloroborane
• Synonyms: Butyldichloroborane solution

Database IDs

• CAS Number: 14090-22-3
• MDL Number: MFCD00191876
• PubChem SID: 162233031; 24867095
• PubChem CID: 4461877

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5123
• LogD (pH = 7.4): 3.5123
• Log P: 3.5123
• Molar Refractivity: 31.8549 cm^3
• Polarizability: 13.7512045 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 68-70 °C
• Flash Point: -20 °C; -4 °F
• Density: 0.714 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2924
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-14-20/21/22-34-48
• Safety Statements: 16-26-36/37/39-45
• RID/ADR: UN 2924 3/PG 2

Product Information

• Concentration: 1.0 M in hexanes
• Linear Formula: CH3(CH2)3BCl2