(4,6-Dimethylpyridin-2-yl)boronic acid
Basic information
- CAS
1309982-36-2- Standard SMILES
Cc1cc(C)nc(B(O)O)c1- InChIKey
XDJSJAWXNWQJMD-UHFFFAOYSA-N- Molecular formula
- C7H10BNO2
- Average molar mass
- 150.97 g/mol
- Monoisotopic mass
- 151.0804587
Names & identifiers
- Preferred name
- (4,6-Dimethylpyridin-2-yl)boronic acid
- IUPAC
- (4,6-dimethyl-2-pyridinyl)boronic acid
- English name
- 4,6-Dimethylpyridine-2-boronic acid
- Molecular formula
- C7H10BNO2
- Molecular weight
- 150.97
Names & synonyms
(4,6-Dimethylpyridin-2-yl)boronic acid1309982-36-24,6-Dimethylpyridine-2-boronic acid(4,6-Dimethylpyridin-2-yl)boronicacidSCHEMBL27426480SCHEMBL30394468DTXSID30694476AKOS006286934Boronic acid, B-(4,6-dimethyl-2-pyridinyl)-
Database identifiers
- CAS
1309982-36-2- PubChem CID
- 53398517
- DTXSID
DTXSID30694476
Properties
Computed structural properties
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Boiling point
- 338.2 · 338.2±52.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 7.99 · 7.99±0.53(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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