2-Bromo-4-nitro-1H-imidazole
Grundinformationen
- CAS
65902-59-2- Standard-SMILES
O=[N+]([O-])c1cnc(Br)[nH]1- InChIKey
UWRJWMLKEHRGOH-UHFFFAOYSA-N- Summenformel
- C3H2BrN3O2
- Durchschnittliche Molmasse
- 191,972 g/mol
- Monoisotopische Masse
- 190,9330384
Namen und Bezeichner
- Bevorzugter Name
- 2-Bromo-4-nitro-1H-imidazole
- IUPAC
- 2-Bromo-5-nitro-1H-imidazole
- Englischer Name
- 2-Bromo-4-nitroimidazole
- Summenformel
- C3H2BrN3O2
- Molmasse
- 191.97
Namen und Synonyme
2-Bromo-4-nitro-1H-imidazoleEOS-606782-BROMO-4-NITROIMIDAZOLE2-Bromo-5-nitroimidazole2-BroMo-4-nitroiMidazole98%2-Bromo-4-nitroimidazole >2-Bromo-4-nitro-3H-imidazole1H-IMidazole, 2-broMo-5-nitro-2-Bromo-4-nitro-1H-imidazole 97%2-Bromo-4-nitro-1h-imidazole ,98%
Datenbank-Bezeichner
- CAS
65902-59-2- PubChem CID
- 47754
- DTXSID
DTXSID60216120- EC Number
- 613-851-3
- Nikkaji
- J1.607.954E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 74,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 125
Physikochemische Eigenschaften
- Schmelzpunkt
- 232 to · 232.0 to 236.0 °C
- Siedepunkt
- 402.5 · 402.5±37.0 °C(Predicted)
- Dichte
- 2.156 · 2.156±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Aggregatzustand
- Solid
- pka
- 5.65 · 5.65±0.10(Predicted)
- Farbe
- White to Yellow
- InChI
- InChI=1S/C3H2BrN3O2/c4-3-5-1-2(6-3)7(8)9/h1H,(H,5,6)
- InChIKey
- UWRJWMLKEHRGOH-UHFFFAOYSA-N
- SMILES
- C1(Br)NC([N+]([O-])=O)=CN=1
- CAS Datenbank
- 65902 · 65902-59-2(CAS DataBase Reference)
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
Warning
H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): 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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 4 reports by companies from 4 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
Hazard Classes and CategoriesAcute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (75%)
Sicherheitsdaten
- hs_code
- 2933299090
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn
- safety_code
- 26-37/39
Chemie und Industrie
Anwendungen
VerwendenA key building block for nitroimidazole drugs.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
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