ethoxyethane; trifluoro(10B)borane

• ChemBase ID: 138190
• Molecular Formular: C4H10BF3O
• Molecular Mass: 141.1297466
• Monoisotopic Mass: 141.0813116
• SMILES: [10B](F)(F)F.CCOCC
• Canonical SMILES: F[10B](F)F.CCOCC
• InChI: InChI=1S/C4H10O.BF3/c1-3-5-4-2;2-1(3)4/h3-4H2,1-2H3;/i;1-1
• InChIKey: KZMGYPLQYOPHEL-HCMAANCNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethoxyethane; trifluoro(^1^0B)borane
• IUPAC Traditional name: diethyl ether; trifluoro(^1^0B)borane
• Synonyms: Boron-10B trifluoride diethyl etherate; 三氟化硼-10B 二乙醚

Database IDs

• CAS Number: 312619-25-3
• MDL Number: MFCD00191838
• PubChem SID: 162232448; 24866638
• PubChem CID: 16212759

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.83816534
• LogD (pH = 7.4): 0.83816534
• Log P: 0.83816534
• Molar Refractivity: 22.5097 cm^3
• Polarizability: 8.788117 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 126 °C(lit.)
• Flash Point: 118.4 °F; 48 °C
• Density: 1.114 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.344(lit.)
• Mass Shift: M-1

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 2604
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 1
• Risk Statements: 10-14-20/22-35-48/23
• Safety Statements: 16-23-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302-H314-H330-H372
• GHS Precautionary statements: P260-P280-P284-P305 + P351 + P338-P310
• RID/ADR: UN 2604 8/PG 1

Product Information

• Isotopic Purity: 99 atom % 10B
• Linear Formula: (C2H5)2O · 10BF3