trifluoroborane dihydrate

• ChemBase ID: 99308
• Molecular Formular: BF3H4O2
• Molecular Mass: 103.8367696
• Monoisotopic Mass: 104.02564443
• SMILES: B(F)(F)F.O.O
• Canonical SMILES: FB(F)F.O.O
• InChI: InChI=1S/BF3.2H2O/c2-1(3)4;;/h;2*1H2
• InChIKey: MJCYPBSRKLJZTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trifluoroborane dihydrate
• IUPAC Traditional name: boron trifluoride dihydrate
• Synonyms: Boron trifluoride dihydrate 96%; Boron trifluoride dihydrate; 三氟化硼 二水合物

Database IDs

• CAS Number: 13319-75-0
• MDL Number: MFCD00149901
• PubChem SID: 162085586; 24862131
• PubChem CID: 61591

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.5525
• LogD (pH = 7.4): 0.5525
• Log P: 0.5525
• Molar Refractivity: 4.5039 cm^3
• Polarizability: 2.6677341 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.636; 1.636 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.316(lit.)

Safety Information

• Storage Warning: Toxic/Corrosive/Moisture Sensitive/Store under Argon
• RTECS: ED2285000
• European Hazard Symbols: Corrosive (C); Highly toxic (T+)
• UN Number: 2851
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 14-26-35
• Safety Statements: 9-26-28-36/37/39-45
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H330
• GHS Precautionary statements: P260-P280-P284-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2851 8/PG 2

Product Information

• Purity: 96%
• Linear Formula: BF3 · 2H2O

DETAILS

Sigma Aldrich - 359963

Packaging
100, 500 mL in glass bottle