5-Bromo-3-chloro-2-ethoxyphenylboronic acid
Basic information
- CAS
1451391-70-0- Standard SMILES
CCOc1c(Cl)cc(Br)cc1B(O)O- InChIKey
CBQUBIYNGMJEAW-UHFFFAOYSA-N- Molecular formula
- C8H9BBrClO3
- Average molar mass
- 279.32 g/mol
- Monoisotopic mass
- 277.95166
Names & identifiers
- Preferred name
- 5-Bromo-3-chloro-2-ethoxyphenylboronic acid
- IUPAC
- (5-bromo-3-chloro-2-ethoxyphenyl)boronic acid
- English name
- 5-Bromo-3-chloro-2-ethoxyphenylboronic acid
- Molecular formula
- C8H9BBrClO3
- Molecular weight
- 279.32
Names & synonyms
5-Bromo-3-chloro-2-ethoxyphenylboronic acid1451391-70-0(5-Bromo-3-chloro-2-ethoxyphenyl)boronic acidMFCD22628206DTXSID101229026CS-0189771D71773(5-bromo-3-chloro-2-ethoxy-phenyl)boronic acidF627854Boronic acid, B-(5-bromo-3-chloro-2-ethoxyphenyl)-
Database identifiers
- CAS
1451391-70-0- PubChem CID
- 74889563
- DTXSID
DTXSID101229026
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Boiling point
- 415.7 · 415.7±55.0 °C(Predicted)
- Density
- 1 · 1+-.0.1 g/cm3(Predicted)
- pka
- 6.62 · 6.62±0.58(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- 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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…