bismuth(3+) ion trichloride

• ChemBase ID: 295163
• Molecular Formular: BiCl3
• Molecular Mass: 315.3394
• Monoisotopic Mass: 313.88695604
• SMILES: [Cl-].[Cl-].[Cl-].[Bi+3]
• Canonical SMILES: [Cl-].[Cl-].[Cl-].[Bi+3]
• InChI: InChI=1S/Bi.3ClH/h;3*1H/q+3;;;/p-3
• InChIKey: JHXKRIRFYBPWGE-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: bismuth(3+) ion trichloride
• IUPAC Traditional name: bismuth(3+) ion trichloride
• Synonyms: Bismuth(III) chloride; Bismuth(III) chloride, anhydrous; Bismuth(III) chloride, ultra dry; 氯化铋(III); 氯化铋(III), 无水; 氯化铋(III), 超干

Database IDs

• CAS Number: 7787-60-2
• EC Number: 232-123-2
• MDL Number: MFCD00003461
• Merck Index: 141262
• PubChem SID: 180680694
• PubChem CID: 9839877

CALCULATED PROPERTIES

• Acid pKa: -7.0
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.8327582
• LogD (pH = 7.4): 0.8327582
• Log P: 0.6123387
• Molar Refractivity: 5.6156 cm^3
• Polarizability: 2.1090326 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline; Powder, Ampouled under argon
• Melting Point: 230-232°C
• Boiling Point: ca 430°C subl.
• Density: 4.75

Safety Information

• Storage Warning: Hygroscopic
• RTECS: EB2690000
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3260
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 98% (dry wt.), may cont. up to 3% water; 99.997+% (metals basis); 99.999% (metals basis)

REFERENCES

• Promotes the chemoselective deprotection of N-Boc amino acids and peptides: Tetrahedron Lett., 47, 389 (2006).
• For a brief feature on Bi(III) catalysts, see: Synlett, 1194 (2001). For a review of their use in acylation and sulfonylation reactions, see: Synlett, 181 (2002).
• Lewis acid catalyst which promotes the rearrangement of acetanilides to o-amino ketones: Tetrahedron Lett., 3217 (1976).
• Catalyzes the addition of 1,3-dicarbonyl compounds to Michael acceptors under solvent-free conditions with microwave irradiation: Tetrahedron Lett., 38, 1449 (1997).
• For catalysis of Diels-Alder and hetero Diels-Alder reactions, see: J. Org. Chem., 62, 4880 (1997); Tetrahedron Lett., 39, 1161 (1998).
• Silyl enol ethers can be ɑ-acylated with acyl chlorides in the presence of a catalytic amount of BiCl₃ and NaI or ZnI₂; other Lewis acids such as ZnCl₂ were less effective: J. Org. Chem., 61, 3885 (1996).
• Arenes undergo sufonylation by heating with arenesulfonyl chlorides in the presence of BiCl₃ (5 mol%) and triflic acid (10 mol%) to give high yields of mixed diaryl sulfones; neither BiCl₃ nor TfOH alone is effective: Tetrahedron Lett., 40, 9233 (1999).