3-Bromo-5-hydroxypyridine

HCID 599529CAS 74115-13-2

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Grundinformationen

Standard-SMILES: Oc1cncc(Br)c1
InChIKey: VNYBIBSZZDAEOK-UHFFFAOYSA-N
Summenformel: C5H4BrNO
Durchschnittliche Molmasse: 174 g/mol
Monoisotopische Masse: 172,94763

Namen und Bezeichner

Bevorzugter Name: 3-Bromo-5-hydroxypyridine
IUPAC: 5-bromopyridin-3-ol
Englischer Name: 3-Bromo-5-hydroxypyridine
Summenformel: C5H4BrNO
Molmasse: 174

Namen und Synonyme

3-Bromo-5-hydroxypyridine74115-13-25-Bromo-3-pyridinolDTXSID40344793RefChem:498930DTXCID50295868627-764-35-bromopyridin-3-ol5-Bromo-3-hydroxypyridine5-Bromo-pyridin-3-ol3-Bromo-5-pyridinol3-Pyridinol, 5-bromo-

Weitere Namen anzeigen

3-Bromo-5-hydroxypyridine95%

MFCD00661305Pyridine, 3-ol-5-bromo-3-Hydro-5-bromo-pyridin3-HYDROXY-5-BROMOPYRIDINE5-bromopyrid-3-ol5-bromopyridine-3-ol5-Bromo-3-pyridinol #5-Bromo-3-hydroxylpyridine

Datenbank-Bezeichner

CAS: 74115-13-2
PubChem CID: 599529
DTXSID: DTXSID40344793
EC Number: 627-764-3
Nikkaji: J847.262I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 33,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 78

Physikochemische Eigenschaften

Schmelzpunkt: 166 · 166-170 °C
Siedepunkt: 343.7 · 343.7±22.0 °C(Predicted)
Dichte: 1.788 · 1.788±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
pka: 8.37 · 8.37±0.10(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: White to tan
Wasserlöslichkeit: Slightly soluble in water. Soluble in chloroform and ethyl acetate.
InChI: InChI=1S/C5H4BrNO/c6-4-1-5(8)3-7-2-4/h1-3,8H
InChIKey: VNYBIBSZZDAEOK-UHFFFAOYSA-N
SMILES: C1=NC=C(Br)C=C1O
CAS Datenbank: 74115 · 74115-13-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk: 3
hs_code: 29339900
risk_code: 36/37/38-22-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-37-36-22
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Beschreibung3-bromo-5-hydroxypyridine is an important industrial raw material widely used in medicine, pesticides, dyes, and other industries. Since the pyridine ring has biological activity and plays an irreplaceable role in synthesising drugs that cannot be replaced by other groups or functional groups, it is a hot area in pharmaceutical research. The hydroxyl and bromine atoms in the structure of 3-bromo-5-hydroxypyridine have diverse chemical reactivity. The alcohol hydroxyl unit in its structure can undergo nucleophilic substitution reactions with common alkyl halides under alkaline conditions to obtain corresponding ether derivatives.