2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzonitrile
Basic information
- CAS
1073355-21-1- Standard SMILES
CC1(C)OB(c2ccc(C(F)(F)F)cc2C#N)OC1(C)C- InChIKey
OINNEFWMBQNRSL-UHFFFAOYSA-N- Molecular formula
- C14H15BF3NO2
- Average molar mass
- 297.08 g/mol
- Monoisotopic mass
- 297.1147934
Names & identifiers
- Preferred name
- 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzonitrile
- IUPAC
- 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzonitrile
- English name
- 2-Cyano-4-(trifluoromethyl)phenylboronic acid pinacol ester
- Molecular formula
- C14H15BF3NO2
- Molecular weight
- 297.08
Names & synonyms
1073355-21-12-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzonitrile2-CYANO-4-(TRIFLUOROMETHYL)PHENYLBORONIC ACID PINACOL ESTERMFCD098785392-(tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzonitrileSCHEMBL15011822DTXSID10672873OINNEFWMBQNRSL-UHFFFAOYSA-NAKOS016004702AB53938NCGC00662581-01AS-49760
Show more names
2-Cyano-4-(trifluoromethyl)phenylboronic acidpinacol4-(Trifluoromethyl)-2-cyanophenylboronic acid pinacol esterBenzonitrile, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-
SY065363DB-422032CS-0044873EN300-1719976F228484Z20497571765-(Trifluoromethyl)benzonitrile-2-boronic acid pinacol ester
Database identifiers
- CAS
1073355-21-1- PubChem CID
- 45933641
- DTXSID
DTXSID10672873- EC Number
- 880-756-3
Properties
Computed structural properties
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 439
Physicochemical properties
- Boiling point
- 357 · 357.0±42.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Appearance
- White to off-white Solid
- Comptox DTXSID
- 10672873 · DTXSID10672873
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 21 · NA.21
- 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
- HS Code
- 2931900090 · 2931900090
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
- hs_code
- 2931900090
- 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
Loading…