4-Fluoro-3-nitrophenylboronic acid
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Basic information
- CAS
352530-22-4- Standard SMILES
O=[N+]([O-])c1cc(B(O)O)ccc1F- InChIKey
JDPKQZFQCPEJNH-UHFFFAOYSA-N- Molecular formula
- C6H5BFNO4
- Average molar mass
- 184.92 g/mol
- Monoisotopic mass
- 185.02956626
Overview
See also: 4-Fluoro-3-nitrobenzeneboronic acid (annotation moved to).
Names & identifiers
- Preferred name
- 4-Fluoro-3-nitrophenylboronic acid
- IUPAC
- (4-fluoro-3-nitrophenyl)boronic acid
- English name
- 4-Fluoro-3-nitrophenylboronic acid
- Molecular formula
- C6H5BFNO4
- Molecular weight
- 184.92
Names & synonyms
4-FLUORO-3-NITROPHENYLBORONIC ACID352530-22-4(4-fluoro-3-nitrophenyl)boronic acidMFCD08277236(4-fluoro-3-nitro-phenyl)boronic acidSCHEMBL1442991DTXSID20647875AKOS006344984AB448704-FLUORO-3-NITROBENZENEBORONIC ACID4-Fluoro-3-nitrophenylboronicacidSCHEMBL29953392
Show more names
4-Fluoro-3-Nitrophenylboronic5-Borono-2-fluoronitrobenzene4-fiuoro-3-nitrophenylboronic acid3-Nitro-4-fluorophenylboronic acidBoronic acid,B-(4-fluoro-3-nitrophenyl)-4-Fluoro-3-nitrophenylboronic acid（Contains Varying Amounts Of Anhydride）
SBB065906DS-10579SY042445DB-028890CS-0042875EN300-316757F093284
Database identifiers
- CAS
352530-22-4- PubChem CID
- 24901765
- DTXSID
DTXSID20647875
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Boiling point
- 367 · 367.0±52.0 °C(Predicted)
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 7.02 · 7.02±0.10(Predicted)
- Appearance
- Off-white to yellow Solid
- InChI
- InChI=1S/C6H5BFNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3,10-11H
- InChIKey
- JDPKQZFQCPEJNH-UHFFFAOYSA-N
- SMILES
- B(C1=CC=C(F)C([N+]([O-])=O)=C1)(O)O
- CAS DataBase Reference
- 352530 · 352530-22-4(CAS DataBase Reference)
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 225 · H225-H314
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243-P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P370+P378-P403+P235-P405-P501
- HS Code
- 2931900090 · 2931900090
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
- hs_code
- 2931900090
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- Hazard statements
- H225-H314
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P370+P378-P403+P235-P405-P501
Chemistry & industry
Applications
Usessuzuki reaction
Upstream & downstream products
Upstream raw materials
Related reactions
7 records
Compound notes
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