methanol; trifluoroborane

• ChemBase ID: 130586
• Molecular Formular: CH4BF3O
• Molecular Mass: 99.8480696
• Monoisotopic Mass: 100.03072981
• SMILES: B(F)(F)F.CO
• Canonical SMILES: FB(F)F.OC
• InChI: InChI=1S/CH4O.BF3/c1-2;2-1(3)4/h2H,1H3
• InChIKey: JBXYCUKPDAAYAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methanol; trifluoroborane
• IUPAC Traditional name: boron trifluoride; methanol
• Synonyms: Boron trifluoride-methanol solution; Boron trifluoride-methanol solution; Boron trifluoride methanol complex solution; 三氟化硼-甲醇 溶液; Boron trifluoride-methanol solution; 三氟化硼-甲醇络合物 溶液

Database IDs

• CAS Number: 2802-68-8; 373-57-9
• EC Number: 206-766-4
• MDL Number: MFCD00071635
• Beilstein Number: 3611499; 3693581
• PubChem SID: 24874807; 24891572; 24849659; 24849660; 24848188; 162224864
• PubChem CID: 11062313

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

• Boiling Point: 59 °C/4 mmHg
• Flash Point: 11 °C; 16 °C; 51.8 °F; 60.8 °F
• Auto Ignition Point: 788 °F
• Density: 0.859 g/mL at 20 °C; 0.859 g/mL at 25 °C; 0.86 g/mL at 20 °C; 0.868 g/mL at 25 °C; 1.203 g/mL at 25 °C
• Refractive Index: n20/D 1.328
• Vapor Pressure: 19.5 mmHg ( 20 °C)

Safety Information

• European Hazard Symbols: Flammable (F); Toxic (T); Highly toxic (T+)
• UN Number: 3286
• German water hazard class: 1; 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-14-24/25-26-35-39/23/24/25; 11-20/22-34-48/23; 11-23/24/25-34-39/23/24/25-48/23
• Safety Statements: 16-26-28-36/37/39-45; 16-26-36/37/39-45; 23-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS06; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H301 + H311 + H331-H314-H370-H372; H225-H301-H311-H314-H331-H370; H225-H302-H314-H332-H372
• GHS Precautionary statements: P210-P260-P280-P301 + P310-P305 + P351 + P338-P310; P210-P280-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 3286 3/PG 2
• Supplemental Hazard Statements: Reacts violently with water.
• Storage Temperature: 2-8°C

Product Information

• Purity: 13-15% BF3 basis
• Concentration: ~10% (~1.3 M); ~51% boron trifluoride; ~68% boron trifluoride; 14% in methanol; 50% w/w in methanol; in excess methanol
• Grade: CP; for GC derivatization; for synthesis
• Compostion: BF3, 12 wt. %
• Derivatization reagent for: Esterifications
• Linear Formula: BF3 · 2CH3OH; BF3 · MeOH

DETAILS

Sigma Aldrich - B1127

Caution
密封安瓿瓶包装可显著延长保质期。
包装
密封安瓿瓶包装。

Sigma Aldrich - 134821

Packaging
1 L in glass bottle
50, 250 mL in glass bottle
4×25 mL in Sure/Seal™
Application
Reagent for the GC analysis of ritalinic acid.1 Alternative to Cl2CHCO2H for synthesis of purine rich oligomers.2Lewis acid used in the preparation of geminal bis-peroxides from ketals and enol ethers with t-butyl hydroperoxide.3 Reagent used for the mild deacetylation of amines.4

Sigma Aldrich - B1252

包装
1 L in glass bottle
5, 100, 250, 500 mL in glass bottle
螺纹盖瓶装。

Sigma Aldrich - 15716

Other Notes
Reagent for esterifying fatty acid for gas chromatographic analysis1