2-(4-Bromo-1H-pyrazol-1-yl)ethanol

HCID 16640642

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Grundinformationen

CAS: 214614-81-0
Standard-SMILES: OCCn1cc(Br)cn1
InChIKey: REUWXYIZJBMWPB-UHFFFAOYSA-N
Summenformel: C5H7BrN2O
Durchschnittliche Molmasse: 191,03 g/mol
Monoisotopische Masse: 189,97418

Namen und Bezeichner

Bevorzugter Name: 2-(4-Bromo-1H-pyrazol-1-yl)ethanol
IUPAC: 2-(4-bromopyrazol-1-yl)ethanol
Englischer Name: 2-(4-BROMO-1H-PYRAZOL-1-YL)ETHANOL
Summenformel: C5H7BrN2O
Molmasse: 191.03

Namen und Synonyme

2-(4-bromo-1H-pyrazol-1-yl)ethanolRefChem:456880835-124-1214614-81-02-(4-Bromopyrazol-1-yl)ethanol4-Bromo-1-(2-hydroxyethyl)pyrazole2-(4-bromo-1h-pyrazol-1-yl)ethan-1-ol1H-Pyrazole-1-ethanol, 4-bromo-MFCD068049292-(4-bromo-pyrazol-1-yl)-ethanolSCHEMBL3039782-(4-bromopyrazolyl)ethan-1-ol

Weitere Namen anzeigen

AKOS B024012AKOS PAO-0968ART-CHEM-BB B0240124-bromo-1H-Pyrazole-1-ethanol1-(2-hydroxyethyl)-4-bromopyazole

UU1DTXSID20586331REUWXYIZJBMWPB-UHFFFAOYSA-NALBB-003673CS-D12571-(2-Hydroxyethyl)-4-bromopyrazoleSBB014946STK350079

Datenbank-Bezeichner

CAS: 214614-81-0
PubChem CID: 16640642
DTXSID: DTXSID20586331
EC Number: 835-124-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,2
Polarare Oberfläche (TPSA): 38,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 9
Formalladung: 0
Komplexität: 91

Physikochemische Eigenschaften

Siedepunkt: 299.2 · 299.2±20.0 °C(Predicted)
Dichte: 1.74 · 1.74±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 14.3 · 14.30±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 2 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.