(2-(Pyrrolidin-1-ylsulfonyl)phenyl)boronic acid
Basic information
- CAS
913835-83-3- Standard SMILES
O=S(=O)(c1ccccc1B(O)O)N1CCCC1- InChIKey
ONRDSHCJDLWHKN-UHFFFAOYSA-N- Molecular formula
- C10H14BNO4S
- Average molar mass
- 255.1 g/mol
- Monoisotopic mass
- 255.0736593
Names & identifiers
- Preferred name
- (2-(Pyrrolidin-1-ylsulfonyl)phenyl)boronic acid
- IUPAC
- (2-pyrrolidin-1-ylsulfonylphenyl)boronic acid
- English name
- 2-(Pyrrolidin-1-ylsulphonyl)benzeneboronic acid 97
- Molecular formula
- C10H14BNO4S
- Molecular weight
- 255.1
Names & synonyms
913835-83-3(2-(Pyrrolidin-1-ylsulfonyl)phenyl)boronic acid2-(Pyrrolidinylsulfonyl)phenylboronic acid2-(1-Pyrrolidinylsulphonyl)benzeneboronic Acid2-(Pyrrolidin-1-ylsulphonyl)benzeneboronic acidMFCD08689515(2-pyrrolidin-1-ylsulfonylphenyl)boronic acid2-(PYRROLIDIN-1-YLSULPHONYL)BENZENEBORONIC ACID 972-(pyrrolidin-1-ylsulfonyl)phenylboronic acid[2-(Pyrrolidine-1-sulfonyl)phenyl]boronic acidSCHEMBL5191342-(1-PYRROLIDINYLSULFONYL)BENZENEBORONIC ACID
Show more names
1-(2-Boronobenzenesulfonyl)pyrrolidineN-PYRROLIDINYL 2-BORONOBENZENESULFONAMIDE2-(Pyrrolidin-1-ylsulfonyl)benzeneboronic acid[2-(1-pyrrolidinylsulfonyl)phenyl]boronic acid
(2-(Pyrrolidin-1-ylsulfonyl)DTXSID60657175SBB071150AKOS015854125CS-W012581DS-17513SY0034142-(Pyrrolidin-1-ylsulphonyl)benzeneboronic
Database identifiers
- CAS
913835-83-3- PubChem CID
- 44119367
- DTXSID
DTXSID60657175- EC Number
- 691-199-9
Properties
Computed structural properties
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Melting point
- 124 · 124-126
- Boiling point
- 479.9 · 479.9±55.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- pka
- 8.04 · 8.04±0.53(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
- Hazard Codes
- Xi
- Hazard Note
- Irritant/Keep Cold
- HS Code
- 2933998090 · 2933998090
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)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant/Keep Cold
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Usessuzuki reaction
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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