2,3-Dimethylpyridine-5-boronic acid pinacol ester

HCID 53216810CAS 741709-65-9

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C
InChIKey: LBQVSLAREHNEHT-UHFFFAOYSA-N
Molecular formula: C13H20BNO2
Average molar mass: 233.12 g/mol
Monoisotopic mass: 233.15870928

Names & identifiers

Preferred name: 2,3-Dimethylpyridine-5-boronic acid pinacol ester
IUPAC: 2,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
English name: 2,3-Dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Molecular formula: C13H20BNO2
Molecular weight: 233.11

Names & synonyms

2,3-Dimethylpyridine-5-boronic acid pinacol esterRefChem:442561861-389-8741709-65-92,3-DIMETHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINEMFCD12405444(5,6-DIMETHYLPYRIDIN-3-YL)BORONIC ACID PINACOL ESTERSCHEMBL1181289SCHEMBL30551407DTXSID90681948LBQVSLAREHNEHT-UHFFFAOYSA-NAKOS022184203

Show more names

2,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-diboronalkane-2-yl)pyridinePyridine, 2,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

AS-39935SY239894DB-098285CS-0173969EN300-316783F4477462,3-Dimethylpyridine-5-boronic acid, pinacol ester2,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborola

Database identifiers

CAS: 741709-65-9
PubChem CID: 53216810
DTXSID: DTXSID90681948
EC Number: 861-389-8

Properties

Computed structural properties

Topological polar surface area: 31.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 277

Physicochemical properties

Boiling point: 336 · 336.0±42.0 °C(Predicted)
Density: 1.01 · 1.01±0.1 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 6.23 · 6.23±0.22(Predicted)
Appearance: Off-white to light brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.