2-Isopropoxy-5-methylphenylboronic acid
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Basic information
- CAS
480438-71-9- Standard SMILES
Cc1ccc(OC(C)C)c(B(O)O)c1- InChIKey
PESPTYNENYUZTH-UHFFFAOYSA-N- Molecular formula
- C10H15BO3
- Average molar mass
- 194.04 g/mol
- Monoisotopic mass
- 194.1114245
Names & identifiers
- Preferred name
- 2-Isopropoxy-5-methylphenylboronic acid
- IUPAC
- (5-methyl-2-propan-2-yloxyphenyl)boronic acid
- English name
- 2-ISOPROPOXY-5-METHYLPHENYLBORONIC ACID
- Molecular formula
- C10H15BO3
- Molecular weight
- 194.04
Names & synonyms
2-Isopropoxy-5-methylphenylboronic acid480438-71-9(5-methyl-2-propan-2-yloxyphenyl)boronic acidMFCD04974067(2-isopropoxy-5-methylphenyl)boronic acidSCHEMBL2840000DTXSID603935262-ISOPROPOXY-5-METHYLPHENYLBORONICACID2-Isopropoxy-5-methylphenylboronic acid, 480438-71-9, (5-methyl-2-propan-2-yloxyphenyl)boronic acid, AC1MTAAP, ACMC-209kc0, (5-methyl-2-propan-2-yloxy-phenyl)boronic Acid, SureCN2840000, 565660_ALDRICH, CTK1D5524, MolPort-000-931-765, WT796, ANW-30622, SBB071216, AKOS004114127, AB21462, AG-F-63499, RL03793, AK-40425, BP-12140, KB-24733(5-methyl-2-propan-2-yloxy-phenyl)boronic AcidSCHEMBL29952612MFCD049740
Show more names
2-Isopropoxy-5-methyLBoronic acid, B-[5-Methyl-2-(1-Methylethoxy)phenyl]-Boronic acid, [5-methyl-2-(1-methylethoxy)phenyl]- (9CI)
AKOS004114127AB21462BP-12140BS-28541SY276912(2-isopropoxy-5-methyl-phenyl)boronic acidDB-010453N12082
Database identifiers
- CAS
480438-71-9- PubChem CID
- 3547422
- DTXSID
DTXSID60393526
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
- Melting point
- 65 · 65-69 °C(lit.)
- Boiling point
- 355.4 · 355.4±52.0 °C(Predicted)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.77 · 8.77±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
- 233 · P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
- WGK Germany
- 3 · 3
- 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
- wgk
- 3
- hs_code
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Applications
Usessuzuki reaction
Related reactions
5 records
Compound notes
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