3-Isopropoxy-5-methylphenylboronic acid
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Basic information
- CAS
1256345-76-2- Standard SMILES
Cc1cc(OC(C)C)cc(B(O)O)c1- InChIKey
CZCHMHUSIRMAFN-UHFFFAOYSA-N- Molecular formula
- C10H15BO3
- Average molar mass
- 194.04 g/mol
- Monoisotopic mass
- 194.1114245
Names & identifiers
- Preferred name
- 3-Isopropoxy-5-methylphenylboronic acid
- IUPAC
- (3-methyl-5-propan-2-yloxyphenyl)boronic acid
- English name
- 3-Isopropoxy-5-methylphenylboronic acid
- Molecular formula
- C10H15BO3
- Molecular weight
- 194.04
Names & synonyms
1256345-76-23-ISOPROPOXY-5-METHYLPHENYLBORONIC ACID(3-Isopropoxy-5-methylphenyl)boronic acidMFCD16295054(3-methyl-5-propan-2-yloxyphenyl)boronic acidBoronic acid, B-[3-methyl-5-(1-methylethoxy)phenyl]-[3-methyl-5-(propan-2-yloxy)phenyl]boronic acidSCHEMBL29955737DTXSID10681566AKOS006337069(3-Isopropoxy-5-methylphenyl)boronicacidBS-19752
Show more names
(3-isopropoxy-5-methyl-phenyl)boronic acidDB-366519CS-0174520E97839F228576{3-Methyl-5-[(propan-2-yl)oxy]phenyl}boronic acid(3-Isopropoxy-5-methylphenyl)boronic acid - [K89499]
Database identifiers
- CAS
1256345-76-2- PubChem CID
- 53216319
- DTXSID
DTXSID10681566
Properties
Computed structural propertiesFilling in
- 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
- 173
Physicochemical properties
- Boiling point
- 357.5 · 357.5±52.0 °C(Predicted)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- pka
- 8.34 · 8.34±0.10(Predicted)
- 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
- 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
- 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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