2-(3-Fluoro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic information
- CAS
754226-34-1- Standard SMILES
COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F- InChIKey
BCVSHUZDQUHOQZ-UHFFFAOYSA-N- Molecular formula
- C13H18BFO3
- Average molar mass
- 252.09 g/mol
- Monoisotopic mass
- 252.13330306
Names & identifiers
- Preferred name
- 2-(3-Fluoro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- IUPAC
- 2-(3-fluoro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- English name
- 3-Fluoro-4-methoxyphenylboronic acid, pinacol ester
- Molecular formula
- C13H18BFO3
- Molecular weight
- 252.09
Names & synonyms
754226-34-12-(3-fluoro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneDTXSID40374595RefChem:251524DTXCID603256253-fluoro-4-methoxyphenylboronic acid, pinacol esterMFCD058639123-Fluoro-4-methoxyphenylboronic acid pinacol ester2-(3-Fluoro-4-methoxyphenyl)4,4,5,5-tetramethyl-1,3,2-dioxaborolaneAKOS015960095CS-0089497EN300-1425810
Show more names
3-Fluoro-4-methoxybenzeneboronate ester3-Fluoro-4-methoxybenzeneboronic acid pinacol ester3-Fluoro-4-Methoxybenzeneboronic acid pinacol ester, 96%1,3,2-Dioxaborolane, 2-(3-fluoro-4-methoxyphenyl)-4,4,5,5-tetramethyl-
Z13367451322-(3-Fluoro-4-methoxy-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolaneSCHEMBL142144BCVSHUZDQUHOQZ-UHFFFAOYSA-N2-(3-fluoro-4-methoxy-phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneFS-5466SY308258F021831
Database identifiers
- CAS
754226-34-1- PubChem CID
- 2759005
- DTXSID
DTXSID40374595- EC Number
- 675-081-4
Properties
Computed structural properties
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Boiling point
- 329.1 · 329.1±32.0 °C(Predicted)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- Solid
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- 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.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
3 records
Compound notes
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