2-Chloro-4-formyl-3-methylphenylboronic acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
1451391-36-8- Standard SMILES
Cc1c(C=O)ccc(B(O)O)c1Cl- InChIKey
XIEPSLHUTAEFTC-UHFFFAOYSA-N- Molecular formula
- C8H8BClO3
- Average molar mass
- 198.41 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-4-formyl-3-methylphenylboronic acid
- IUPAC
- (2-chloro-4-formyl-3-methylphenyl)boronic acid
- English name
- 2-Chloro-4-formyl-3-methylphenylboronic acid
- Molecular formula
- C8H8BClO3
- Molecular weight
- 198.41
Names & synonyms
2-Chloro-4-formyl-3-methylphenylboronic acid1451391-36-8(2-Chloro-4-formyl-3-methylphenyl)boronic acidMFCD11856008SCHEMBL20742251AKOS022181722CS-0190035D71403(2-chloro-4-formyl-3-methyl-phenyl)boronic acidF628087Boronic acid, B-(2-chloro-4-formyl-3-methylphenyl)-
Database identifiers
- CAS
1451391-36-8
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Boiling point
- 392.3 · 392.3±52.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 7.1 · 7.10±0.58(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 303 · H303-H320
- Precautionary statements
- 312 · P312-P264-P305+P351+P338-P337+P313
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
- H303-H320
- Precautionary statements
- P312-P264-P305+P351+P338-P337+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…