Basic information
- CAS
1310384-03-2- Standard SMILES
O=C(c1ccc(B(O)O)cn1)C(F)(F)F- InChIKey
PLUZXBWSYNYOFL-UHFFFAOYSA-N- Molecular formula
- C7H5BF3NO3
- Average molar mass
- 218.93 g/mol
- Monoisotopic mass
- 219.0314577
Names & identifiers
- Preferred name
- (6-(2,2,2-Trifluoroacetyl)pyridin-3-yl)boronic acid
- IUPAC
- [6-(2,2,2-trifluoroacetyl)-3-pyridinyl]boronic acid
- English name
- 6-Trifluoroacetylpyridine-3-boronic acid
- Molecular formula
- C7H5BF3NO3
- Molecular weight
- 218.93
Names & synonyms
1310384-03-2(6-(2,2,2-Trifluoroacetyl)pyridin-3-yl)boronic acid[6-(2,2,2-trifluoroacetyl)pyridin-3-yl]boronic acid6-Trifluoroacetylpyridine-3-boronic acid[6-(TRIFLUOROACETYL)PYRIDIN-3-YL]BORONIC ACIDDTXSID90694492AKOS015950015AB41088FD102316-(Trifluoroacetyl)pyridine-3-boronic acid[6-(Trifluoroacetyl)pyridin-3-yl]boronicacid(6-(2,2,2-Trifluoroacetyl)-pyridin-3-yl)boronic acid
Show more names
Boronic acid, B-[6-(2,2,2-trifluoroacetyl)-3-pyridinyl]-
Database identifiers
- CAS
1310384-03-2- PubChem CID
- 53398538
- DTXSID
DTXSID90694492
Properties
Computed structural properties
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Boiling point
- 342.1 · 342.1±52.0 °C(Predicted)
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- pka
- 5.57 · 5.57±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
- P261-P305+P351+P338
Chemistry & industry
Suppliers8 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
台州川旭医药科技有限公司[email protected] 15165038510 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
上海梦蓝医药科技有限公司13062660007 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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