Basic information
- CAS
895543-04-1- Standard SMILES
OB(O)c1ccc(N2CCCC2)c(C(F)(F)F)c1- InChIKey
RASZLUDMEXXCAK-UHFFFAOYSA-N- Molecular formula
- C11H13BF3NO2
- Average molar mass
- 259.03 g/mol
Names & identifiers
- Preferred name
- (4-(Pyrrolidin-1-yl)-3-(trifluoromethyl)phenyl)boronic acid
- IUPAC
- [4-pyrrolidin-1-yl-3-(trifluoromethyl)phenyl]boronic acid
- English name
- (4-(pyrrolidin-1-yl)-3-(trifluoromethyl)phenyl)boronic acid
- Molecular formula
- C11H13BF3NO2
- Molecular weight
- 259.03
Names & synonyms
895543-04-1(4-(Pyrrolidin-1-yl)-3-(trifluoromethyl)phenyl)boronic acid4-pyrrolidino-3-trifluoromethylphenylboronic acid[4-pyrrolidin-1-yl-3-(trifluoromethyl)phenyl]boronic acidSCHEMBL382066RASZLUDMEXXCAK-UHFFFAOYSA-NMFCD28147906CS-34484CS-0459311H69004Boronic acid, B-[4-(1-pyrrolidinyl)-3-(trifluoromethyl)phenyl]-
Database identifiers
- CAS
895543-04-1
Properties
Computed structural properties
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Boiling point
- 390.2 · 390.2±52.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 7.83 · 7.83±0.17(Predicted)
- 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
Chemistry & industry
Suppliers5 total
安徽合诺生物科技有限公司0555-2761852
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
济南鑫宏泰化学有限公司13000000000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…