2-Chloro-6-fluoro-3-hydroxyphenylboronic acid
Basic information
- CAS
957121-07-2- Standard SMILES
OB(O)c1c(F)ccc(O)c1Cl- InChIKey
MMQMWHTYNPPUMF-UHFFFAOYSA-N- Molecular formula
- C6H5BClFO3
- Average molar mass
- 190.37 g/mol
- Monoisotopic mass
- 190.00043
Names & identifiers
- Preferred name
- 2-Chloro-6-fluoro-3-hydroxyphenylboronic acid
- IUPAC
- (2-chloro-6-fluoro-3-hydroxyphenyl)boronic acid
- English name
- 2-Chloro-6-fluoro-3-hydroxyphenylboronic acid
- Molecular formula
- C6H5BClFO3
- Molecular weight
- 190.36
Names & synonyms
2-Chloro-6-fluoro-3-hydroxyphenylboronic acid957121-07-2(2-chloro-6-fluoro-3-hydroxyphenyl)boronic acidMFCD098008862-Chloro-6-fluoro-3-hydroxyphenylboronicacid(2-chloro-6-fluoro-3-hydroxy-phenyl)boronic acid2-CHLORO-6-FLUORO-3-HYDROXYBENZENEBORONIC ACIDAKOS0063460512-Chloro-3-hydroxy-6-fluorophenylboronic acid(2-chloro-SCHEMBL29955796DTXSID30659368
Show more names
uoro-3-hydroxyphenyL3-Borono-2-chloro-4-fluorophenolBoronic acid, B-(2-chloro-6-fluoro-3-hydroxyphenyl)-
SBB071198CS-16573SY032278DB-010393CS-0100648N12116F225341J-508931
Database identifiers
- CAS
957121-07-2- PubChem CID
- 44558147
- DTXSID
DTXSID30659368
Properties
Computed structural properties
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Boiling point
- 378.7 · 378.7±52.0 °C(Predicted)
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 7.76 · 7.76±0.58(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HS Code
- 2931900090 · 2931900090
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
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Usessuzuki reaction
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Compound notes
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