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Merck
CN

359963

Boron trifluoride dihydrate

96%

Synonym(s):

Boron fluoride dihydrate, Trifluoroborane dihydrate

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About This Item

Linear Formula:
BF3 · 2H2O
CAS Number:
Molecular Weight:
103.84
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352106
MDL number:
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Quality Level

assay

96%

form

liquid

reaction suitability

core: boron, reagent type: Lewis acid, reagent type: catalyst

refractive index

n20/D 1.316 (lit.)

density

1.636 g/mL at 25 °C (lit.)

SMILES string

[H]O[H].[H]O[H].FB(F)F

InChI

1S/BF3.2H2O/c2-1(3)4;;/h;2*1H2

InChI key

MJCYPBSRKLJZTB-UHFFFAOYSA-N

Application

Boron trifluoride dihydrate can be used as:
  • An activator in Pechmann condensation to synthesize 4-methylcoumarin derivatives by the reaction between substituted phenols and methyl acetoacetate.
  • An initiator for the polymerization of benzoxazine.
  • A catalyst in the regioselective Fries rearrangement of phenolic esters to give hydroxyphenyl alkyl/aryl ketones.
  • A catalyst to prepare 8-hydroxymethyltricyclene acetate by the reaction between camphene and formaldehyde in the presence of methylene chloride-acetic anhydride solvent.



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Danger

Hazard Classifications

Acute Tox. 2 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1 - Skin Corr. 1A - STOT RE 2 Inhalation - STOT SE 3

target_organs

Kidney, Respiratory system

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品

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Terpene-formaldehyde reactions. II. d-Limonene
Blomquist AT and Himics RJ
The Journal of Organic Chemistry, 33(3), 1156-1159 (1968)
Cationic polymerization of benzoxazine monomers by boron trifluoride complex.
Cid JA, et al.
Polymers & Polymer Composites, 7(6), 409-420 (1999)
Pechmann reaction promoted by boron trifluoride dihydrate.
Stoyanov E and Mezger J.
Molecules (Basel), 10(7), 762-766 (2005)



Global Trade Item Number

SKUGTIN
359963-100ML04061831813791
359963-500ML04061831813807