N-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]benzenesulfonamide
Basic information
- CAS
1083326-28-6- Standard SMILES
CC1(C)OB(c2cncc(NS(=O)(=O)c3ccccc3)c2)OC1(C)C- InChIKey
UXJVHVXONVGHIL-UHFFFAOYSA-N- Molecular formula
- C17H21BN2O4S
- Average molar mass
- 360.2 g/mol
- Monoisotopic mass
- 360.1315085
Names & identifiers
- Preferred name
- N-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]benzenesulfonamide
- IUPAC
- N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide
- English name
- N-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)benzenesulfonamide
- Molecular formula
- C17H21BN2O4S
- Molecular weight
- 360.24
Names & synonyms
N-[5-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-3-YL]BENZENESULFONAMIDEN-(5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)benzenesulfonamideRefChem:828022833-167-01083326-28-6N-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)benzenesulfonamideN-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]benzenesulfonamideN-[5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3-PYRIDINYL]BENZENESULFONAMIDEMFCD13190589SCHEMBL790984C17H21BN2O4SDTXSID10680635
Show more names
3-Phenylsulfonamidopyridine-5-boronicacidpinacolester,96%3-PhenylsulfonaMidopyridine-5-boronic acid pinacol ester, 96%Benzenesulfonamide, N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-
UXJVHVXONVGHIL-UHFFFAOYSA-NITB32628AKOS016011134MB13423NCGC00662629-01AS-48218DB-059747CS-0175581
Database identifiers
- CAS
1083326-28-6- PubChem CID
- 52936632
- DTXSID
DTXSID10680635- EC Number
- 833-167-0
Properties
Computed structural properties
- Topological polar surface area
- 85.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 554
Physicochemical properties
- Boiling point
- 517.6 · 517.6±60.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 7.63 · 7.63±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Related reactions
24 records
Compound notes
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