3-Chloro-4-ethoxy-5-isopropoxyphenylboronic acid
Basic information
- CAS
2096336-82-0- Standard SMILES
CCOc1c(Cl)cc(B(O)O)cc1OC(C)C- InChIKey
VYXJMDFAZNTZEA-UHFFFAOYSA-N- Molecular formula
- C11H16BClO4
- Average molar mass
- 258.51 g/mol
- Monoisotopic mass
- 258.0830168
Names & identifiers
- Preferred name
- 3-Chloro-4-ethoxy-5-isopropoxyphenylboronic acid
- IUPAC
- (3-chloro-4-ethoxy-5-propan-2-yloxyphenyl)boronic acid
- English name
- 3-Chloro-4-ethoxy-5-isopropoxyphenylboronic acid
- Molecular formula
- C11H16BClO4
- Molecular weight
- 258.51
Names & synonyms
3-Chloro-4-ethoxy-5-isopropoxyphenylboronic acid2096336-82-0MFCD21332923(3-Chloro-4-ethoxy-5-isopropoxyphenyl)boronic acidDTXSID901182602BS-34422CS-0178263(3-Chloro-4-ethoxy-5-isopropoxyphenyl)boronicacid(3-chloro-4-ethoxy-5-isopropoxy-phenyl)boronic acid(3-chloro-4-ethoxy-5-propan-2-yloxyphenyl)boronic acid[3-chloro-4-ethoxy-5-(propan-2-yloxy)phenyl]boronic acid{3-Chloro-4-ethoxy-5-[(propan-2-yl)oxy]phenyl}boronic acid
Show more names
Boronic acid, B-[3-chloro-4-ethoxy-5-(1-methylethoxy)phenyl]-
Database identifiers
- CAS
2096336-82-0- PubChem CID
- 74889565
- DTXSID
DTXSID901182602
Properties
Computed structural properties
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-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
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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