2-Bromopyridine-5-boronic acid

HCID 2762706CAS 223463-14-7

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: OB(O)c1ccc(Br)nc1
InChIKey: BCYWDUVHAPHGIP-UHFFFAOYSA-N
Summenformel: C5H5BBrNO2
Durchschnittliche Molmasse: 201,82 g/mol
Monoisotopische Masse: 200,9596709

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 2-Bromopyridine-5-boronic acid
IUPAC: (6-bromo-3-pyridinyl)boronic acid
Englischer Name: 2-Bromopyridine-5-boronic acid
Summenformel: C5H5BBrNO2
Molmasse: 201.81

Namen und Synonyme

223463-14-72-Bromopyridine-5-boronic acidDTXSID70376380RefChem:467312DTXCID20327408672-028-7(6-bromopyridin-3-yl)boronic Acid6-BROMOPYRIDINE-3-BORONIC ACID2-Bromo-5-pyridineboronic AcidBPBAMFCD03411558(6-bromo-3-pyridinyl)boronic acid

Weitere Namen anzeigen

2-bromo-5-pyridylboronic acidAKOS BRN-0200RARECHEM AK ML 04435-Borono-2-bromopyridine2-Bromopyridine-5-Boronic2-bromopridine-5-boric acid2-BROMOPYRIDYL-5-BORONIC ACID6-bromo-3-pyridylboronic acid

6-BROMO-3-PYRIDINYLBORONIC ACIDSCHEMBL181140CS-W015531AB14131AC-69916-Bromo-3-pyridinylboronic acid, >=95%B33076-Bromopyridin-3-ylboronic acid

Datenbank-Bezeichner

CAS: 223463-14-7
PubChem CID: 2762706
DTXSID: DTXSID70376380
ChEMBL: CHEMBL3236616
EC Number: 672-028-7
Nikkaji: J1.720.049F

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 53,4 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 114

Physikochemische Eigenschaften

Schmelzpunkt: 161 · 161-166 °C
Siedepunkt: 358.2 · 358.2±52.0 °C(Predicted)
Dichte: 1.78 · 1.78±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Löslichkeit: soluble in Methanol
pka: 6.62 · 6.62±0.10(Predicted)
Aggregatzustand: solid
Farbe: white to off-white
BRN: 9119918 · 9119918
InChI: 1S/C5H5BBrNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3,9-10H
InChIKey: BCYWDUVHAPHGIP-UHFFFAOYSA-N
SMILES: OB(O)c1ccc(Br)nc1
CAS Datenbank: 223463 · 223463-14-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 10 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
tsca: No
ridadr: 2811
hs_code: 29333990
risk_code: 36/37/38-20/21/22
hazard_code: Xi
safety_code: 26-36-36/37/39
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenReactant involved in:Iterative cross-coupling reactions for synthesis of non-cytotoxic terpyridinesThe Garlanding approach for synthesis of phenyl-pyridyl scaffoldsCyanation for synthesis of aromatic nitrilesSuzuki-Miyaura cross-coupling with dihalopyridines and dihalobipyridinesPetasis boronic Mannich reaction