3-Bromo-2-isopropoxy-5-methylphenylboronic acid
Basic information
- CAS
870718-01-7- Standard SMILES
Cc1cc(Br)c(OC(C)C)c(B(O)O)c1- InChIKey
VTDMHYFQQWORBC-UHFFFAOYSA-N- Molecular formula
- C10H14BBrO3
- Average molar mass
- 272.93 g/mol
- Monoisotopic mass
- 272.02194
Names & identifiers
- Preferred name
- 3-Bromo-2-isopropoxy-5-methylphenylboronic acid
- IUPAC
- (3-bromo-5-methyl-2-propan-2-yloxyphenyl)boronic acid
- English name
- 3-BROMO-2-ISOPROPOXY-5-METHYLPHENYLBORO&
- Molecular formula
- C10H14BBrO3
- Molecular weight
- 272.93
Names & synonyms
870718-01-73-Bromo-2-isopropoxy-5-methylphenylboronic acid(3-Bromo-2-isopropoxy-5-methylphenyl)boronic acidMFCD04974111(3-bromo-5-methyl-2-propan-2-yloxyphenyl)boronic acid3-BROMO-2-ISOPROPXY-5-METHYLPHENYLBORONIC ACIDSCHEMBL3316427DTXSID10400557AKOS015834040AB21479BP-11430BS-23060
Show more names
CS-0174339D71323(3-Bromo-2-isopropoxy-5-methylphenyl)boronicacidF338294(3-bromo-2-isopropoxy-5-methyl-phenyl)boronic acid{3-Bromo-5-methyl-2-[(propan-2-yl)oxy]phenyl}boronic acidBoronic acid, B-[3-bromo-5-methyl-2-(1-methylethoxy)phenyl]-
Database identifiers
- CAS
870718-01-7- PubChem CID
- 4189752
- DTXSID
DTXSID10400557
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Melting point
- 96 · 96-101 °C(lit.)
- Boiling point
- 402.7 · 402.7±55.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 7.79 · 7.79±0.58(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
- 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
- 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
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…