2-Fluoro-3-isopropoxyphenylboronic acid pinacol ester
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Basic information
- CAS
1451391-00-6- Standard SMILES
CC(C)Oc1cccc(B2OC(C)(C)C(C)(C)O2)c1F- InChIKey
DSIBMZWYVMJDAZ-UHFFFAOYSA-N- Molecular formula
- C15H22BFO3
- Average molar mass
- 280.14 g/mol
- Monoisotopic mass
- 280.1646029
Names & identifiers
- Preferred name
- 2-Fluoro-3-isopropoxyphenylboronic acid pinacol ester
- IUPAC
- 2-(2-fluoro-3-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- English name
- 2-Fluoro-3-isopropoxyphenylboronic acid pinacol ester
- Molecular formula
- C15H22BFO3
- Molecular weight
- 280.14
Names & synonyms
1451391-00-62-Fluoro-3-isopropoxyphenylboronic acid pinacol ester2-(2-Fluoro-3-isopropoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneMFCD162952582-(2-fluoro-3-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane2-[2-Fluoro-3-(1-methylethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane2-(2-Fluoro-3-isopropoxy-phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneDTXSID401139315AKOS022181599AS-95438CS-0189922D71592
Show more names
1,3,2-Dioxaborolane, 2-[2-fluoro-3-(1-methylethoxy)phenyl]-4,4,5,5-tetramethyl-
EN300-768426F6279902-[2-fluoro-3-(propan-2-yloxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane2-{2-Fluoro-3-[(propan-2-yl)oxy]phenyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Database identifiers
- CAS
1451391-00-6- PubChem CID
- 73553508
- DTXSID
DTXSID401139315
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Boiling point
- 359.3 · 359.3±32.0 °C(Predicted)
- Density
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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