Borate(1-), tetrafluoro-, nitryl (1:1)
Basic information
- CAS
13826-86-3- Standard SMILES
F[B-](F)(F)F.O=NO- InChIKey
MSXLXAUEYQPTTG-UHFFFAOYSA-N- Molecular formula
- BF4HNO2-
- Average molar mass
- 133.82 g/mol
- Monoisotopic mass
- 134.0036461
Names & identifiers
- Preferred name
- Borate(1-), tetrafluoro-, nitryl (1:1)
- IUPAC
- nitrous acid tetrafluoroborate
- English name
- Nitronium tetrafluoroborate
- Molecular formula
- BF4H2NO2
- Molecular weight
- 134.82
Names & synonyms
EINECS 237-533-5NITRONIUM, TETRAFLUOROBORATE(1-)RefChem:569886DTXCID901473320Borate(1-), tetrafluoro-, nitryl (1:1)DTXSID001014531Nitryl tetrafluoroborateNitryl fluoborateSCHEMBL37436SCHEMBL1025423MSXLXAUEYQPTTG-UHFFFAOYSA-NNitronium tetrafluoroborate, min. 97%
Show more names
NOBF4NO2BF4nitrylfluoborateNitronium tetrafluorboratetetrafluoro-borate(1-nitrylNitronium tetrafluoroborateNitronium tetrafluoroborate 95%nitronium,tetrafluoroborate(1-)Nitronium tetrafluoroborate,97%
Database identifiers
- CAS
13826-86-3- PubChem CID
- 26296
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- -1
- Complexity
- 29.4
Physicochemical properties
- Melting point
- 200 °C · 200 °C
- Density
- 1.29 g/mL · 1.29 g/mL at 20 °C
- storage temp.
- 2 · 2-8°C
- solubility
- Acetonitrile (Slightly, Heated)
- form
- crystal
- color
- white
- Water Solubility
- Decomposes in water.
- Sensitive
- Hygroscopic
- Decomposition
- 2 F · decomposes to NO2F and BF3 at temperatures >180 °C.
- Stability
- Stable, but may decompose in water on exposure to moist air. Incompatible with water, strong oxidizing agents.
- InChI
- 1S/BF4.NO2/c2-1(3,4)5;2-1-3/q-1;+1
- InChIKey
- RGVZMPONLYFINH-UHFFFAOYSA-N
- SMILES
- O=[N+]=O.F[B-](F)(F)F
- CAS DataBase Reference
- 13826 · 13826-86-3(CAS DataBase Reference)
- EPA Substance Registry System
- Borate(1-), tetrafluoro-, nitryl (13826-86-3)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 10-21
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- QX8620000
- ridadr
- UN 3264 8/PG 2
- hs_code
- 28429090
- Toxicity
- mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05621,
- risk_code
- 34-42/43-22-43-42
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS08
- hazard_code
- C
- hazard_note
- Corrosive/Hygroscopic
- safety_code
- 26-36/37/39-45-23
- hazard_class
- 8
- Storage Class
- 8B - Non-combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314-H317-H334
- Hazard Classifications
- Eye Dam. 1Resp. Sens. 1Skin Corr. 1BSkin Sens. 1
- Precautionary statements
- P260-P272-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBorate(1-), tetrafluoro-, nitryl (1:1): ACTIVE
Applications
UsesNitronium Tetrafluoroborate is used in the preparation of triazolyl glycoside as galectin-3 inhibitors.
General DescriptionNitronium Tetrafluoroborate is used as a electrophilic nitrating agent; mild oxidant; hydride and halide abstracting agent.
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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