5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
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Grundinformationen
- CAS
799270-07-8- Standard-SMILES
N#Cc1c[nH]c2ncc(Br)cc12- InChIKey
WDUMYOXRHLWOIR-UHFFFAOYSA-N- Summenformel
- C8H4BrN3
- Durchschnittliche Molmasse
- 222,04 g/mol
- Monoisotopische Masse
- 220,95886
Namen und Bezeichner
- Bevorzugter Name
- 5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
- IUPAC
- 5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
- Englischer Name
- 5-BroMo-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
- Summenformel
- C8H4BrN3
- Molmasse
- 222.04
Namen und Synonyme
5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile799270-07-8DTXSID806507695-Bromo-1H-pyrrolo(2,3-b)pyridine-3-carbonitrileRefChem:301472DTXCID80601519815-977-61H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 5-bromo-MFCD110462395-BROMO-3-CYANO-1H-PYRROLO[2,3-B]PYRIDINE5-BroMo-3-cyano-7-azaindoleSCHEMBL1564211
Weitere Namen anzeigen
WDUMYOXRHLWOIR-UHFFFAOYSA-NZGB270075-Bromo-7-azaindole-3-carbonitrileAKOS015919238AS-36502SY043118CS-0004744EN300-188511
Datenbank-Bezeichner
- CAS
799270-07-8- PubChem CID
- 28058793
- DTXSID
DTXSID80650769- EC Number
- 815-977-6
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 52,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 222
Physikochemische Eigenschaften
- Dichte
- 1.85 · 1.85±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 10.52 · 10.52±0.40(Predicted)
- Aggregatzustand
- solid
- Farbe
- Beige
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
H301 (40%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (60%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (80%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (40%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (80%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 5 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. 3 (40%)；Acute Tox. 4 (60%)；Acute Tox. 4 (80%)；Skin Irrit. 2 (80%)；Eye Dam. 1 (40%)；Eye Irrit. 2A (60%)；Acute Tox. 4 (80%)；STOT SE 3 (80%)
Sicherheitsdaten
- hs_code
- 2933399990
Chemie und Industrie
Anwendungen
Verwenden5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile is mainly used as an intermediate in the synthesis of compounds with specific biological activities, especially in the fields of medicinal chemistry and organic synthesis.
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