(5-Phenylpyridin-3-yl)boronic acid
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Basic information
- CAS
850991-38-7- Standard SMILES
OB(O)c1cncc(-c2ccccc2)c1- InChIKey
FVWWKNZKPWWOCF-UHFFFAOYSA-N- Molecular formula
- C11H10BNO2
- Average molar mass
- 199.02 g/mol
- Monoisotopic mass
- 199.08045896
Names & identifiers
- Preferred name
- (5-Phenylpyridin-3-yl)boronic acid
- IUPAC
- (5-phenyl-3-pyridinyl)boronic acid
- English name
- 5-Phenyl-3-pyridinyl boronic acid
- Molecular formula
- C11H10BNO2
- Molecular weight
- 199.01
Names & synonyms
850991-38-7(5-Phenylpyridin-3-yl)boronic acid5-Phenyl-3-pyridinylboronic acid5-Phenylpyridine-3-boronic acid5-PHENYL-3-PYRIDINYL BORONIC ACID5-phenylpyridin-3-ylboronic acidMFCD08061934DTXSID006721805-PHENYL-3-PYRIDINYLBORONICACIDDS-12990(5-phenyl-3-pyridyl)boronic acid5-phenyl-3-pyridinyl?boronic?acid
Show more names
5-Phenyl-3-pyridine boronic acidBoronic acid, (5-phenyl-3-pyridinyl)-Boronic acid, B-(5-phenyl-3-pyridinyl)-5-Phenyl-3-pyridine boronic acid hydrochloride5-Phenylpyridin-3-ylboronic acid hydrochloride(5-Phenylpyridin-3-yl)boronic acid, pinacol ester5-Phenyl-3-pyridinyl boronic Acid(5-Phenyl-3-pyridinyl boronic acid, pinacol ester )
FT-0644956orb1908328SCHEMBL13044815-phenyl-3-pyridyl boronic acidTNU0667AKOS006287625SY108347DB-007103
Database identifiers
- CAS
850991-38-7- PubChem CID
- 45790037
- DTXSID
DTXSID00672180
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Boiling point
- 439.3 · 439.3±47.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 3.78 · 3.78±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C11H10BNO2/c14-12(15)11-6-10(7-13-8-11)9-4-2-1-3-5-9/h1-8,14-15H
- InChIKey
- FVWWKNZKPWWOCF-UHFFFAOYSA-N
- SMILES
- B(C1=CC(C2=CC=CC=C2)=CN=C1)(O)O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Related reactions
6 records
Compound notes
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