1-(difluoroboranyl)-1-fluoro-2-(4-nitrophenyl)diazenium fluoride

• ChemBase ID: 105559
• Molecular Formular: C6H4BF4N3O2
• Molecular Mass: 236.9194728
• Monoisotopic Mass: 237.03326966
• SMILES: [F-].[O-][N+](=O)c1ccc(cc1)/N=[N+](\F)/B(F)F
• Canonical SMILES: FB(/[N+](=N/c1ccc(cc1)[N+](=O)[O-])/F)F.[F-]
• InChI: InChI=1S/C6H4BF3N3O2.FH/c8-7(9)13(10)11-5-1-3-6(4-2-5)12(14)15;/h1-4H;1H/q+1;/p-1
• InChIKey: PLZRVLZVEPAMRG-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(difluoroboranyl)-1-fluoro-2-(4-nitrophenyl)diazenium fluoride
• IUPAC Traditional name: 1-(difluoroboranyl)-1-fluoro-2-(4-nitrophenyl)diazenium fluoride
• Synonyms: C.I. 37035; Azoic diazo No 37; p-nitrobenzene diazonium tetrafluoroborate; FAST RED GG SALT

Database IDs

• CAS Number: 456-27-9
• EC Number: 207-261-1
• PubChem SID: 162092567
• PubChem CID: 44134715

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.10482581
• LogD (pH = 7.4): 0.10482581
• Log P: 0.10482581
• Molar Refractivity: 46.0355 cm^3
• Polarizability: 15.869622 Å^3
• Polar Surface Area: 61.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 2-8°C, Desiccate
• RTECS: CZ1723000
• European Hazard Symbols: Corrosive (C)
• UN Number: 1759
• Hazard Class: 8
• Packing Group: II
• Australian Hazchem: 2X
• Risk Statements: R:34
• Safety Statements: S:26-27/28-36/37/39-46-64
• EU Classification: C10
• EU Hazard Identification Number: 8B
• Emergency Response Guidebook(ERG) Number: 154

Product Information

• Purity: Dye Content ≥95.0%

DETAILS

MP Biomedicals - 02191235

C.I. 37035
Dye content: Min. 95.0%