N-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide
Basic information
- CAS
480425-36-3- Standard SMILES
CC1(C)OB(c2ccccc2NC=O)OC1(C)C- InChIKey
GXTTWKFHLLCWMJ-UHFFFAOYSA-N- Molecular formula
- C13H18BNO3
- Average molar mass
- 247.1 g/mol
- Monoisotopic mass
- 247.1379736
Names & identifiers
- Preferred name
- N-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide
- IUPAC
- N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide
- English name
- N-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide
- Molecular formula
- C13H18BNO3
- Molecular weight
- 247.1
Names & synonyms
480425-36-3N-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamideN-(2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)formamideMFCD037892642-formylaminophenylboronic acid, pinacol ester2-(Formylamino)phenylboronic acid pinacol ester2-Formamidophenylboronic acid pinacol esterSCHEMBL16687453DTXSID40378831GXTTWKFHLLCWMJ-UHFFFAOYSA-NAKOS015894407AB16136
Show more names
2-(Formylamino)benzeneboronic acid, pinacol esterN-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)2-(Formylamino)phenylboronic acid pinacol ester 97%Formamide, N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-Formamidophenylboronic acid pinacol ester, N-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide
DB-051504F0108412-(Formylamino)phenylboronic acid pinacol ester, 97%N-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl) -phenyl]formamiden[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide
Database identifiers
- CAS
480425-36-3- PubChem CID
- 2774005
- DTXSID
DTXSID40378831
Properties
Computed structural properties
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Melting point
- 85 · 85-89 °C(lit.)
- Boiling point
- 412.2 · 412.2±28.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- pka
- 15.14 · 15.14±0.70(Predicted)
- CAS DataBase Reference
- 480425 · 480425-36-3(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- WGK Germany
- 3 · 3
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
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
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Compound notes
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