(2-(Benzyloxy)-6-fluorophenyl)boronic acid
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Basic information
- CAS
1217500-53-2- Standard SMILES
OB(O)c1c(F)cccc1OCc1ccccc1- InChIKey
NBRVDQVRGXXXIE-UHFFFAOYSA-N- Molecular formula
- C13H12BFO3
- Average molar mass
- 246.04 g/mol
- Monoisotopic mass
- 246.0863526
Names & identifiers
- Preferred name
- (2-(Benzyloxy)-6-fluorophenyl)boronic acid
- IUPAC
- (2-fluoro-6-phenylmethoxyphenyl)boronic acid
- English name
- 2-Benzyloxy-6-fluorophenylboronic acid
- Molecular formula
- C13H12BFO3
- Molecular weight
- 246.04
Names & synonyms
1217500-53-22-Benzyloxy-6-fluorophenylboronic acid(2-(Benzyloxy)-6-fluorophenyl)boronic acid(2-fluoro-6-phenylmethoxyphenyl)boronic acidMFCD11617256BORONIC ACID, B-[2-FLUORO-6-(PHENYLMETHOXY)PHENYL]-[2-(Benzyloxy)-6-fluorophenyl]boronic acid2-(benzyloxy)-6-fluorophenylboronic acid(2-Benzyloxy-6-fluoro-phenyl)boronic acid2-(benzSCHEMBL18190569SCHEMBL29634807
Show more names
oxy-6-fL
DTXSID40659359AKOS015839412s11002AS-68690SY034532(2-(Benzyloxy)-6-fluorophenyl)boronicacidDB-027822CS-0095029
Database identifiers
- CAS
1217500-53-2- PubChem CID
- 44558124
- DTXSID
DTXSID40659359
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Boiling point
- 416.2 · 416.2±55.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 8.37 · 8.37±0.58(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 303 · H303-H320
- Precautionary statements
- 312 · P312-P264-P305+P351+P338-P337+P313
- HazardClass
- IRRITANT
- 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
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H303-H320
- Precautionary statements
- P312-P264-P305+P351+P338-P337+P313
Chemistry & industry
Applications
Usessuzuki reaction
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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