4-bromobenzene-1-diazonium; tetrafluoroboranuide

• ChemBase ID: 100362
• Molecular Formular: C6H4BBrF4N2
• Molecular Mass: 270.8179728
• Monoisotopic Mass: 269.95870342
• SMILES: [B-](F)(F)(F)F.Brc1ccc(cc1)[N+]#N
• Canonical SMILES: F[B-](F)(F)F.Brc1ccc(cc1)[N+]#N
• InChI: InChI=1S/C6H4BrN2.BF4/c7-5-1-3-6(9-8)4-2-5;2-1(3,4)5/h1-4H;/q+1;-1
• InChIKey: FXTCQUCYDJZGGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromobenzene-1-diazonium; tetrafluoroboranuide
• IUPAC Traditional name: 4-bromobenzenediazonium tetrafluoroborate
• Synonyms: 4-Bromobenzenediazonium tetrafluoroborate 96%; 4-Bromobenzenediazonium tetrafluoroborate; 4-溴重氮苯四氟化硼酸盐; 4-溴重氮苯 四氟化硼酸盐.96%

Database IDs

• CAS Number: 673-40-5
• EC Number: 211-608-2
• MDL Number: MFCD00011894
• Beilstein Number: 3791621
• PubChem SID: 24849758; 24856956; 162086460
• PubChem CID: 2734810

CALCULATED PROPERTIES

• Acid pKa: 19.585032
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.578492
• LogD (pH = 7.4): 2.578492
• Log P: 2.578492
• Molar Refractivity: 59.3269 cm^3
• Polarizability: 14.514504 Å^3
• Polar Surface Area: 28.15 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 135-140 °C (dec.)(lit.); 135-140°C; ca 135°C dec.

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive/Store under Argon/Keep Cold; Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 3261; UN1759
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; III
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45-60; 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95% (AT); 96%
• Grade: technical
• Linear Formula: BrC6H4N2BF4

DETAILS

Sigma Aldrich - 280895

Packaging
5 g in glass bottle