pyridine borane

• ChemBase ID: 75251
• Molecular Formular: C5H8BN
• Molecular Mass: 92.93472
• Monoisotopic Mass: 93.07497966
• SMILES: n1ccccc1.B
• Canonical SMILES: c1cccnc1.B
• InChI: InChI=1S/C5H5N.BH3/c1-2-4-6-5-3-1;/h1-5H;1H3
• InChIKey: RJFWUOJTSKNRHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridine borane
• IUPAC Traditional name: pyridine borane
• Synonyms: PYRIDINE-2-AZO-P-DIMETHYL ANILINE; Borane pyridine complex; Pyridine-borane; Borane-pyridine complex; 硼烷吡啶络合物

Database IDs

• CAS Number: 110-51-0
• EC Number: 203-773-4
• MDL Number: MFCD00067085; MFCD00012435
• Beilstein Number: 3674913
• PubChem SID: 162040169
• PubChem CID: 10313077

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.6230428
• LogD (pH = 7.4): 0.75354445
• Log P: 0.7555734
• Molar Refractivity: 23.9011 cm^3
• Polarizability: 9.4423685 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 9-11°C
• Boiling Point: 65°C/1mm
• Flash Point: 73°C(163°F)
• Density: 0.920
• Refractive Index: 1.5320

Safety Information

• Storage Warning: Air & Moisture Sensitive
• RTECS: US3675000
• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: UN2810
• Hazard Class: 6.1
• Packing Group: II
• Risk Statements: 23/24/25-36/37/38-44
• Safety Statements: 15-26-36/37-45
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H310-H330-H315-H319-H335-H227
• GHS Precautionary statements: P210A-P280H-P305+P351+P338-P309-P310

Product Information

• Purity: 95%

DETAILS

MP Biomedicals - 05221645

MP Biomedicals Rare Chemical collection