5-bromo-1H-pyrrolo[2,3-b]pyridine
Grundinformationen
- CAS
183208-35-7- Standard-SMILES
Brc1cnc2[nH]ccc2c1- InChIKey
LPTVWZSQAIDCEB-UHFFFAOYSA-N- Summenformel
- C7H5BrN2
- Durchschnittliche Molmasse
- 197,03 g/mol
- Monoisotopische Masse
- 195,96361026
Namen und Bezeichner
- Bevorzugter Name
- 5-bromo-1H-pyrrolo[2,3-b]pyridine
- IUPAC
- 5-bromo-1H-pyrrolo[2,3-b]pyridine
- Englischer Name
- 5-Bromo-7-azaindole
- Summenformel
- C7H5BrN2
- Molmasse
- 197.03
Namen und Synonyme
5-bromo-1H-pyrrolo[2,3-b]pyridine183208-35-71H-PYRROLO[2,3-B]PYRIDINE, 5-BROMO-5-Bromo-1H-pyrrolo(2,3-b)pyridine1H-Pyrrolo(2,3-b)pyridine, 5-bromo-EC 629-247-8RefChem:532891629-247-85-Bromo-7-azaindoleMFCD06659677C7H5BrN2DTXSID70437889
Weitere Namen anzeigen
3-Bromo-7H-pyrrolo[2,3-b]pyridineSW-57SWF-57SKL277EOS-606615-BROMO AZAINDOLE5-bromo-7-azindole5-Bromo-7-azaindole,96%
5-bromo-1H-pyrrolo[2,3-b]-pyridineFG-0406HY-30012EN300-861755-bromopyrrolo[2,3-b]pyridineZ1696844476A1I835-bromo,7-azaindole
Datenbank-Bezeichner
- CAS
183208-35-7- PubChem CID
- 10307932
- DTXSID
DTXSID70437889- EC Number
- 629-247-8
- Nikkaji
- J1.883.850H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 28,7 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 129
Physikochemische Eigenschaften
- Schmelzpunkt
- 176 · 176-180 °C
- Siedepunkt
- 357.4 · 357.4±42.0 °C(Predicted)
- Dichte
- 1.79 · 1.79±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 6.25 · 6.25±0.20(Predicted)
- Aggregatzustand
- Crystalline Powder
- Farbe
- White to yellow
- InChI
- InChI=1S/C7H5BrN2/c8-6-3-5-1-2-9-7(5)10-4-6/h1-4H,(H,9,10)
- InChIKey
- LPTVWZSQAIDCEB-UHFFFAOYSA-N
- SMILES
- C12NC=CC1=CC(Br)=CN=2
- LogP
- 1.8 at · 1.8 at 25℃ and pH7
- CAS Datenbank
- 183208 · 183208-35-7(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 10.5% (6 of 57) of reports.
Danger
H302 (77.2%): Harmful if swallowed [Warning Acute toxicity, oral]
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 57 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationStatus: Cease Manufacture Update: 06-06-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/6677
Hazard Classes and CategoriesAcute Tox. 4 (77.2%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 22-41
- hazard_code
- Xi,Xn
- safety_code
- 26-39
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
Chemie und Industrie
Anwendungen
Beschreibung5-Bromo-7-azaindole has important applications in drug synthesis and is often used as an intermediate in the synthesis of a variety of bioactive molecules, especially in the development of anti-tumor, anti-viral and neurological drugs. In addition, it can also be used in the research of fluorescent probes to help observe cellular processes in real time.
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