3-(1-Cyanocyclopentyl)-2-fluorophenylboronic acid
Basic information
- CAS
2096339-71-6- Standard SMILES
N#CC1(c2cccc(B(O)O)c2F)CCCC1- InChIKey
GWVDFQFORBSFKG-UHFFFAOYSA-N- Molecular formula
- C12H13BFNO2
- Average molar mass
- 233.05 g/mol
Names & identifiers
- Preferred name
- 3-(1-Cyanocyclopentyl)-2-fluorophenylboronic acid
- IUPAC
- [3-(1-cyanocyclopentyl)-2-fluorophenyl]boronic acid
- English name
- 3-(1-Cyanocyclopentyl)-2-fluorophenylboronic acid
- Molecular formula
- C12H13BFNO2
- Molecular weight
- 233.05
Names & synonyms
3-(1-Cyanocyclopentyl)-2-fluorophenylboronic acid2096339-71-6MFCD21609519(3-(1-Cyanocyclopentyl)-2-fluorophenyl)boronic acid[3-(1-cyanocyclopentyl)-2-fluorophenyl]boronic acidC12H13BFNO2AT16685BS-34285CS-0178693(3-(1-Cyanocyclopentyl)-2-fluorophenyl)boronicacid[3-(1-cyanocyclopentyl)-2-fluoro-phenyl]boronic acidBoronic acid, B-[3-(1-cyanocyclopentyl)-2-fluorophenyl]-
Database identifiers
- CAS
2096339-71-6
Properties
Computed structural properties
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- Boiling point
- 453.8 · 453.8±55.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 8.35 · 8.35±0.58(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319
- Precautionary statements
- 501 · P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
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-H315-H319
- Precautionary statements
- P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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