2-(4-(Bromomethyl)-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic information
- CAS
1029439-49-3- Standard SMILES
CC1(C)OB(c2ccc(CBr)cc2F)OC1(C)C- InChIKey
QOCYLABQSVWXGE-UHFFFAOYSA-N- Molecular formula
- C13H17BBrFO2
- Average molar mass
- 314.99 g/mol
- Monoisotopic mass
- 314.0489
Names & identifiers
- Preferred name
- 2-(4-(Bromomethyl)-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- IUPAC
- 2-[4-(bromomethyl)-2-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- English name
- 2-(4-(Bromomethyl)-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- Molecular formula
- C13H17BBrFO2
- Molecular weight
- 314.99
Names & synonyms
1029439-49-32-(4-(Bromomethyl)-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane2-[4-(bromomethyl)-2-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane4-Bromomethyl-2-fluorophenylboronic acid pinacol esterMFCD18434471(4-(BROMOMETHYL)-2-FLUOROPHENYL)BORONIC ACID PINACOL ESTER2-[4-(bromomethyl)-2-fluoro-phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneSCHEMBL2580234-Bromomethyl-2-fluorobenzeneboronic acid pinacol esterDTXSID50682390QOCYLABQSVWXGE-UHFFFAOYSA-NXH0335
Show more names
4-BroMoMethyl-2-fluorobenzeneboronic acid pinacol ester, 96%1,3,2-Dioxaborolane, 2-[4-(bromomethyl)-2-fluorophenyl]-4,4,5,5-tetramethyl-
AKOS015999346AS-46797SY129701F10532F2132974-(Bromomethyl)-2-fluorophenylboronic Acid Pinacol Ester4-Bromomethyl-2-fluorobenzeneboronicacidpinacolester,96%4-Bromomethyl-2-fluorobenzeneboronic acid pinacol ester, >96%
Database identifiers
- CAS
1029439-49-3- PubChem CID
- 53217331
- DTXSID
DTXSID50682390
Properties
Computed structural properties
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Melting point
- 62 · 62-64℃
- Boiling point
- 348.3 · 348.3±37.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- CAS DataBase Reference
- 1029439 · 1029439-49-3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Suppliers
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Related reactions
1 records
Compound notes
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