2-Phenylpyridine-3-boronic acid
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Basic information
- CAS
1029654-14-5- Standard SMILES
OB(O)c1cccnc1-c1ccccc1- InChIKey
BHMAGGNQKVLKSV-UHFFFAOYSA-N- Molecular formula
- C11H10BNO2
- Average molar mass
- 199.02 g/mol
- Monoisotopic mass
- 199.0804587
Names & identifiers
- Preferred name
- 2-Phenylpyridine-3-boronic acid
- IUPAC
- (2-phenyl-3-pyridinyl)boronic acid
- English name
- 2-PHENYLPYRIDINE-3-BORONIC ACID
- Molecular formula
- C11H10BNO2
- Molecular weight
- 199.01
Names & synonyms
2-Phenylpyridine-3-boronic acid1029654-14-5(2-phenylpyridin-3-yl)boronic AcidMFCD074380142-phenylpyridin-3-ylboronic acid(2-phenyl-3-pyridyl)boronic acid(2-Phenylpyridin-3-yl)boronicacid(2-phenyl-3-pyridinyl)boronic acidSCHEMBL16110779SCHEMBL29955294DTXSID30376725BHMAGGNQKVLKSV-UHFFFAOYSA-N
Show more names
AKOS006285862FD10171AS-48826SY255297Boronic acid, B-(2-phenyl-3-pyridinyl)-CS-0174175F235435
Database identifiers
- CAS
1029654-14-5- PubChem CID
- 2763085
- DTXSID
DTXSID30376725
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
- 420.7 · 420.7±47.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.97 · 3.97±0.58(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933399990 · 2933399990
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
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
2 records
Compound notes
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