CAS 52378-64-0 (3-Bromopyridin-2-yl)methanol (HCID 14022521)

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Grundinformationen

CAS: 52378-64-0
Standard-SMILES: OCc1ncccc1Br
InChIKey: FTTLCYCJDYIEFO-UHFFFAOYSA-N
Summenformel: C6H6BrNO
Durchschnittliche Molmasse: 188,02 g/mol
Monoisotopische Masse: 186,96327591

Namen und Bezeichner

Bevorzugter Name: (3-Bromopyridin-2-yl)methanol
IUPAC: (3-bromo-2-pyridinyl)methanol
Englischer Name: (3-bromopyridin-2-yl)methanol
Summenformel: C6H6BrNO
Molmasse: 188.02

Namen und Synonyme

(3-Bromopyridin-2-yl)methanol52378-64-0DTXSID20554434RefChem:207582DTXCID50505217892-807-7(3-bromo-2-pyridinyl)methanol3-Bromo-2-hydroxymethylpyridine(3-Bromo-pyridin-2-yl)-methanolMFCD030953483-Bromo-2-(hydroxymethyl)pyridine2-Pyridinemethanol, 3-bromo-

Weitere Namen anzeigen

3-Bromopyridine-2-methanol(3-bromo-2-pyridyl)methanol2-Hydroxymethyl-3-bromopyridine3-Bromo pyridine-2-yl) methanol(3-bromopyridin-2-yl)methanol ISO 9001：2015 REACH(3-Bromopyridin-2-yl)methanol, 3-Bromo-alpha-hydroxy-2-picoline

3-bromo-2-pyridinemethanol3-Bromopyridine-2SCHEMBL390654orb3181294SCHEMBL28876691(3-Bromopyridin-2-yl);methanol3-bromo-2-hydroxymethyl-pyridineFTTLCYCJDYIEFO-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 52378-64-0
PubChem CID: 14022521
DTXSID: DTXSID20554434
EC Number: 892-807-7
Nikkaji: J3.803.543F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 33,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 89,1

Physikochemische Eigenschaften

Siedepunkt: 260.9 · 260.9±25.0 °C(Predicted)
Dichte: 1.668 · 1.668±0.06 g/cm3(Predicted)
storage temp.: 2 · Inert atmosphere,2-8°C
pka: 12.75 · 12.75±0.10(Predicted)
InChI: InChI=1S/C6H6BrNO/c7-5-2-1-3-8-6(5)4-9/h1-3,9H,4H2
InChIKey: FTTLCYCJDYIEFO-UHFFFAOYSA-N
SMILES: C1(CO)=NC=CC=C1Br

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

ridadr: UN2811
hs_code: 2933399990

Chemie und Industrie

Anwendungen · 1 Eintrag

Beschreibung(3-bromopyridin-2-yl)methanol is a heterocyclic compound containing hydroxymethyl and bromine functional groups. It is primarily used as a synthetic intermediate. This compound can participate in electrophilic substitution, cross-coupling and redox reactions to construct complex bioactive molecules. The bromine atom at the 3-position is an excellent reaction site for the introduction of aryl, alkenyl or alkynyl groups via the Suzuki–Miyaura coupling reaction.