1-(ethoxyethyl)-4-bromo-1H-pyrazole
Grundinformationen
- CAS
1024120-52-2- Standard-SMILES
CCOC(C)n1cc(Br)cn1- InChIKey
DZXRSNUJYPTUFF-UHFFFAOYSA-N- Summenformel
- C7H11BrN2O
- Durchschnittliche Molmasse
- 219,08 g/mol
- Monoisotopische Masse
- 218,00548
Namen und Bezeichner
- Bevorzugter Name
- 1-(ethoxyethyl)-4-bromo-1H-pyrazole
- IUPAC
- 4-bromo-1-(1-ethoxyethyl)pyrazole
- Englischer Name
- 1H-Pyrazole, 4-broMo-1-(1-ethoxyethyl)-
- Summenformel
- C7H11BrN2O
- Molmasse
- 219.08
Namen und Synonyme
1024120-52-21-(ethoxyethyl)-4-bromo-1H-pyrazoleRefChem:427784692-014-44-bromo-1-(1-ethoxyethyl)-1H-pyrazole4-Bromo-1-(1-ethoxy-ethyl)-1H-pyrazole4-bromo-1-(1-ethoxyethyl)pyrazoleMFCD225436531H-Pyrazole, 4-broMo-1-(1-ethoxyethyl)-C7H11BrN2OSCHEMBL1300155DZXRSNUJYPTUFF-UHFFFAOYSA-N
Weitere Namen anzeigen
Impurity A-4Baricitinib-003Barretinib impurity 11Ticagrelor Impurity 1711H-Pyrazole, 4-broMo-1-(1-Imidazole [1,2-b] pyridazine4-Bromo-1-Ethoxyethyl-1H-Pyrazole1-(1-ETHOXYETHYL)-4-BROMO PYRAZOLEH-Pyrazole, 4-broMo-1-(1-ethoxyethyl)-
FET9792N77AKOS027323832DA-16215SY254008CS-0006270D96532F600472
Datenbank-Bezeichner
- CAS
1024120-52-2- PubChem CID
- 4640410
- UNII
- FET9792N77
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 27,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 123
Physikochemische Eigenschaften
- Siedepunkt
- 245.3 · 245.3±20.0 °C(Predicted)
- Dichte
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- -0.33 · -0.33±0.10(Predicted)
- InChI
- InChI=1S/C7H11BrN2O/c1-3-11-6(2)10-5-7(8)4-9-10/h4-6H,3H2,1-2H3
- InChIKey
- DZXRSNUJYPTUFF-UHFFFAOYSA-N
- SMILES
- N1(C(OCC)C)C=C(Br)C=N1
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H225 (25%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 3 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.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 29-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27414
Hazard Classes and CategoriesFlam. Liq. 2 (25%)；Skin Irrit. 2 (75%)；Eye Irrit. 2 (75%)；STOT SE 3 (75%)
Regulatorische Informationen
Regulatory InformationStatus: Active Update: 29-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27414
Sicherheitsdaten
Chemie und Industrie
Anwendungen
Verwenden4-Bromo-1-(1-ethoxyethyl)pyrazole is a useful research chemical compound.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
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