3-Bromo-2-hydroxy-5-methylpyridine

HCID 3725261

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Grundinformationen

CAS: 17282-02-9
Standard-SMILES: Cc1c[nH]c(=O)c(Br)c1
InChIKey: KHBRMXVUQOVORD-UHFFFAOYSA-N
Summenformel: C6H6BrNO
Durchschnittliche Molmasse: 188,02 g/mol
Monoisotopische Masse: 186,96328

Namen und Bezeichner

Bevorzugter Name: 3-Bromo-2-hydroxy-5-methylpyridine
IUPAC: 3-bromo-5-methyl-1H-pyridin-2-one
Englischer Name: 3-BROMO-2-HYDROXY-5-METHYLPYRIDINE
Summenformel: C6H6BrNO
Molmasse: 188.02

Namen und Synonyme

17282-02-93-Bromo-2-hydroxy-5-methylpyridineDTXSID00395569RefChem:277321DTXCID30346428623-885-03-bromo-5-methylpyridin-2-ol3-Bromo-5-methylpyridin-2(1H)-one3-bromo-5-methyl-1H-pyridin-2-oneMFCD037913123-BROMO-5-METHYL-2(1H)-PYRIDINONE3-Bromo-5-methyl-2-pyridinol

Weitere Namen anzeigen

3-Bromo-2-hydroxy-5-picolineTIMTEC-BB SBB0036795-Bromo-2-hydroxy-3-picoline2-HYDROXY-3-BROMO-5-PICOLINE3-bromo-5-methyl-2(1H)-pyridone3-Bromo-5-methyl-2-pyridone >3-BROMO-5-METHYL-2(1H)-PYRIDINONE

AKOS015891790AB16221FS-3429SY0191763-Bromo-2-hydroxy-5-methylpyridine, 97%3-Bromo-5-methyl-pyridin-2-ol2(1H)-Pyridinone, 3-bromo-5-methyl-3-Bromo-5-methyl-2-pyridone

Datenbank-Bezeichner

CAS: 17282-02-9
PubChem CID: 3725261
DTXSID: DTXSID00395569
EC Number: 623-885-0
Nikkaji: J3.151.646C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 29,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 205

Physikochemische Eigenschaften

Schmelzpunkt: 78 · 78-82 °C (lit.)
Siedepunkt: 324 · 324.0±42.0 °C(Predicted)
Dichte: 1.622 · 1.622±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 10.95 · 10.95±0.10(Predicted)
Aggregatzustand: powder to crystal
Farbe: White to Orange to Green
BRN: 1423374 · 1423374
InChI: 1S/C6H6BrNO/c1-4-2-5(7)6(9)8-3-4/h2-3H,1H3,(H,8,9)
InChIKey: KHBRMXVUQOVORD-UHFFFAOYSA-N
SMILES: Cc1cnc(O)c(Br)c1
CAS Datenbank: 17282 · 17282-02-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (87.2%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (85.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (12.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.