2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

HCID 2794719CAS 444120-94-9

Substructure search Find similar structures

Basic information

Standard SMILES: CC1(C)OB(c2ccc(Cl)nc2)OC1(C)C
InChIKey: IEFBTHROULVUAH-UHFFFAOYSA-N
Molecular formula: C11H15BClNO2
Average molar mass: 239.51 g/mol
Monoisotopic mass: 239.0884368

Names & identifiers

Preferred name: 2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC: 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
English name: 2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Molecular formula: C11H15BClNO2
Molecular weight: 239.51

Names & synonyms

444120-94-92-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridineDTXSID40383349RefChem:258874DTXCID60334373624-473-32-Chloropyridine-5-boronic Acid Pinacol EsterMFCD034127936-Chloro-3-pyridineboronic acid pinacol ester6-Chloropyridine-3-boronic acid pinacol esterPyridine, 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-Chloro-5-pyridylboronic acid pinacol ester

Show more names

2-chloro-5-(4AKOS BRN-0198RARECHEM AK ML 04452-chloropyridine-5-borate acid2-Chloropyridine-5-boronic acid pinacol6-Chloropyridine-3-bronic acid pinacol ester2-CHLORO-5-PYRIDINEBORONIC ACID PINACOL ESTER2-Chloropyridine-5-boronic acid, pinacol este

2-Chloropyridine-5-boronic acid, pinacol esterSCHEMBL1602392(6-CHLOROPYRIDIN-3-YL)BORONIC ACID PINACOL ESTERSCHEMBL295166512-chloro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridineIEFBTHROULVUAH-UHFFFAOYSA-N2-(6-Chloro-3-pyridyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneSBB099133

Database identifiers

CAS: 444120-94-9
PubChem CID: 2794719
DTXSID: DTXSID40383349
EC Number: 624-473-3
Nikkaji: J2.142.726H

Properties

Computed structural properties

Topological polar surface area: 31.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 257

Physicochemical properties

Melting point: 86 · 86-90 °C
Boiling point: 328.3 · 328.3±27.0 °C(Predicted)
Density: 1.14 · 1.14±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: powder to crystal
pka: 0.17 · 0.17±0.10(Predicted)
color: White to Almost white
InChI: 1S/C11H15BClNO2/c1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8/h5-7H,1-4H3
InChIKey: IEFBTHROULVUAH-UHFFFAOYSA-N
SMILES: CC1(C)OB(OC1(C)C)c2ccc(Cl)nc2
CAS DataBase Reference: 444120 · 444120-94-9(CAS DataBase Reference)
UNSPSC Code: 12352103 · 12352103
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H335
Precautionary statements: 305 · P305+P351+P338-P261-P280a-P304+P340-P405-P501a
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36-20/21/22
Safety Statements: 26 · 26
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29333990 · 29333990
Storage Class: 13 · 13 - Non Combustible Solids
Hazard Classifications: 2 · Eye Irrit. 2

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (16.7%): 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 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.