(4-Bromo-2,5-dimethoxyphenyl)boronic acid
Basic information
- CAS
950846-26-1- Standard SMILES
COc1cc(B(O)O)c(OC)cc1Br- InChIKey
VFSKPPVNGHKIFE-UHFFFAOYSA-N- Molecular formula
- C8H10BBrO4
- Average molar mass
- 260.88 g/mol
- Monoisotopic mass
- 259.98555
Names & identifiers
- Preferred name
- (4-Bromo-2,5-dimethoxyphenyl)boronic acid
- IUPAC
- (4-bromo-2,5-dimethoxyphenyl)boronic acid
- English name
- (4-Bromo-2,5-dimethoxyphenyl)boronic acid
- Molecular formula
- C8H10BBrO4
- Molecular weight
- 260.88
Names & synonyms
950846-26-1(4-bromo-2,5-dimethoxyphenyl)boronic acid4-BROMO-2,5-DIMETHOXYPHENYLBORONIC ACIDMFCD07778019B-(4-Bromo-2,5-dimethoxyphenyl)boronic acidSCHEMBL12811484DTXSID80629652(4-BROMO-2,5-DIMETHOXYPHENYL)BORONICACIDAKOS004114049DS-16547AMY22089SCHEMBL29775348
Show more names
Boronic acid, B-(4-bromo-2,5-dimethoxyphenyl)-B-(4-Bromo-2,5-dimethoxyphenyl)boronic acid (contains varying amounts of Anhydride)
SY102975DB-114173(4-bromo-2,5-dimethoxy-phenyl)boronic acidCS-0040209F232199
Database identifiers
- CAS
950846-26-1- PubChem CID
- 23005404
- DTXSID
DTXSID80629652
Properties
Computed structural properties
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 105 · 105-109 °C
- Boiling point
- 400.5 · 400.5±55.0 °C(Predicted)
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 7.86 · 7.86±0.58(Predicted)
- Appearance
- White to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
- P261-P305+P351+P338
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Compound notes
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