2-Aminomethyl-4-fluorophenylboronic acid, pinacol ester
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Basic information
- CAS
2096329-84-7- Standard SMILES
CC1(C)OB(c2ccc(F)cc2CN)OC1(C)C- InChIKey
SNXZTLFBOPVDKD-UHFFFAOYSA-N- Molecular formula
- C13H19BFNO2
- Average molar mass
- 251.11 g/mol
- Monoisotopic mass
- 251.1492872
Names & identifiers
- Preferred name
- 2-Aminomethyl-4-fluorophenylboronic acid, pinacol ester
- IUPAC
- [5-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
- English name
- [5-Fluoro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
- Molecular formula
- C13H19BFNO2
- Molecular weight
- 251.1
Names & synonyms
2096329-84-72-Aminomethyl-4-fluorophenylboronic acid, pinacol esterMFCD18730148(5-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanamine[5-FLUORO-2-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]METHANAMINE[5-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamineAT16512BS-34496CS-0176593EN300-3202342-Aminomethyl-4-fluorophenylboronicacid,pinacolester2-Aminomethyl-4-fluorophenylboronic acid pinacol ester
Show more names
Benzenemethanamine, 5-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
1-[5-FLUORO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]METHANAMINE
Database identifiers
- CAS
2096329-84-7- PubChem CID
- 56776827
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Boiling point
- 343.8 · 343.8±37.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- pka
- 8.73 · 8.73±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
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-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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