trifluoroborane

• ChemBase ID: 93861
• Molecular Formular: BF3
• Molecular Mass: 67.8062096
• Monoisotopic Mass: 68.00451506
• SMILES: FB(F)F
• Canonical SMILES: FB(F)F
• InChI: InChI=1S/BF3/c2-1(3)4
• InChIKey: WTEOIRVLGSZEPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trifluoroborane
• IUPAC Traditional name: boron trifluoride
• Synonyms: Boron fluoride; Boron trifluoride; Boron trifluoride, 12% solution in methanol; Boron trifluoride (14% in methanol); Boron trifluoride 1-propanol solution; BF3 - Butanol solution; Bortrifluoride - 1-butanol solution; Boron trifluoride; 三氟化硼; 三氟化硼-1-丙醇 溶液; 三氟化硼丁醇 溶液; 三氟化硼-1-丁醇 溶液

Database IDs

• CAS Number: 16045-88-8; 7637-07-2; 762-48-1
• EC Number: 237-383-0; 231-569-5
• MDL Number: MFCD00011316
• Merck Index: 141349
• PubChem SID: 24857753; 24849663; 24888104; 162080518; 24869892
• PubChem CID: 6356
• CHEBI ID: 33093
• Chemspider ID: 6116
• Wikipedia Title: Boron_trifluoride

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

• Solubility: exothermic decomposition (anhydrous); very soluble (dihydrate) in water; soluble in benzene, toluene, hexane, chloroform and methylene chloride
• Apperance: colorless gas (anhydrous) ; colorless liquid (dihydrate); gas; Gas
• Melting Point: -126.8 °C, 146.4 K; -127 °C(lit.); -127°C
• Boiling Point: -100 °C(lit.); -100.3 °C, 172.9 K; -100°C; 65°C/760mm
• Flash Point: 24 °C; 35 °C; 4 °C; 4°C; 75.2 °F; 95 °F
• Density: 0.00276 g/cm^3 (anhydrous gas) ; 1.64 g/cm^3 (dihydrate); 0.87 g/mL at 20 °C; 0.870; 0.90 g/mL at 20 °C; 3.076
• Refractive Index: n20/D 1.38
• Vapor Density: 2.38 (21 °C, vs air)
• Transition Temperature: critical temperature -12.3 °C

Safety Information

• Storage Warning: Flammable/Toxic; Moisture Sensitive; Toxic/Flammable/Corrosive/Keep Cold
• RTECS: ED2275000
• European Hazard Symbols: Corrosive (C); Corrosive (C); Highly toxic (T+); Very toxic (T+)
• UN Number: 1008; 2920; Compressed: 1008.; Boron trifluoride dihydrate: 2851.; UN1008
• German water hazard class: 1
• Hazard Class: 2.3; 8
• Packing Group: 2
• Risk Statements: 10-14-22-26-35-37; 10-14-26-35; 14-26-35; R14, R26, R35
• Safety Statements: 26-28-36/37/39-45; 9-26-28-36/37/39-45; S1/2, S9, S26, S28, S36/37/39, S45
• TSCA Listed: 是
• EU Index: 005-001-00-X
• GHS Pictograms: GHS02; GHS04; : Press. Gas; GHS05; : Skin Corr. 1A; GHS06; : Acute Tox. 2; GHS07
• GHS Signal Word: DANGER; Danger
• NFPA704:
  

  0

  4

  1

  W
• GHS Hazard statements: 330, 314; H226-H302-H314-H332-H335-H336; H226-H314-H331-H336; H280-H314-H330; H330-H314-H318
• GHS Precautionary statements: P260-P280-P284-P305 + P351 + P338-P310-P410 + P403; P261-P280-P305 + P351 + P338-P310; P280-P305+P351+P338-P302+P352-P309-P310-P403
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US); Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Faceshields, Gloves, Goggles, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1008 2.3; UN 2920 8/PG 2
• Supplemental Hazard Statements: Reacts violently with water.
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥99.5%; ≥99.99%; 99+%
• Concentration: ~10% in 1-butanol (～1.3 M)
• Grade: electronic grade; for GC derivatization; purum
• Impurities: <10 ppm Nitrogen(N2) + oxygen (O2); <10 ppm Sulfur dioxide (SO2); <20 ppm Carbon dioxide (CO2); <20 ppm Silicon tetrafluoride (SiF4); ≤0.1% SiF4; ≤0.5% SO2; ≤1.0% inert gases
• Quality: for esterification of fatty acids for GC purposes
• Empirical Formula (Hill Notation): BF3

DETAILS

Apollo Scientific Ltd - PC1280

Reagent for esterification of acids: J. Chem. Soc., 5770 (1965)

Sigma Aldrich - 463086

Application
Employed recently in a study of conductivity enhancement of CaF2 by grain boundary activation with Lewis acids.1
General description
Atomic number of base material: 5 Boron
Packaging
100 g in lecture bottle
20 g in ss cylinder
Recommended products
Monel control valves Z261793, Z261807 or Monel gas regulators Z405981, Z406007 are recommended.

Sigma Aldrich - 295027

Packaging
170 g in steel cylinder
Recommended products
Monel control valve Z146978 or Monel gas regulator Z562483 is recommended.

Sigma Aldrich - 15714

Other Notes
Sales restrictions may apply
Packaging
Cylinder with net ~3 kg

Sigma Aldrich - 83253

Application
Reagent for the esterification of carboxylic acids for GC analysis