5-bromo-1H-pyrazolo[4,3-b]pyridine

HCID 71307620CAS 1227628-78-5
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Grundinformationen

Standard-SMILES
Brc1ccc2[nH]ncc2n1
InChIKey
QWLXNBNVCRSNEX-UHFFFAOYSA-N
Summenformel
C6H4BrN3
Durchschnittliche Molmasse
198,02 g/mol
Monoisotopische Masse
196,95886

Namen und Bezeichner

Bevorzugter Name
5-bromo-1H-pyrazolo[4,3-b]pyridine
IUPAC
5-bromo-1H-pyrazolo[4,5-b]pyridine
Englischer Name
5-BroMo-1H-pyrazolo[4,3-b]pyridine
Summenformel
C6H4BrN3
Molmasse
198.02

Namen und Synonyme

5-Bromo-1H-pyrazolo[4,3-b]pyridine1227628-78-5DTXSID907454135-Bromo-1H-pyrazolo(4,3-b)pyridineRefChem:301468DTXCID30696157846-335-31H-Pyrazolo[4,3-b]pyridine, 5-bromo-MFCD15526714SCHEMBL503223SCHEMBL20141123AKOS025291133
Weitere Namen anzeigen
5-broMo-1H-pyrazolo[45-BroMo-1H-pyrazolo[4,3-b...
AKOS032949799CS-W009525DS-7620PB317585-Bromo-1H-pyrazolo[4,3-b]pyridine, AldrichCPR5-Bromo-2H-pyrazolo[4,3-b]pyridine1h-pyrazolo[4,3-b]pyridine,5-bromo-A856192

Datenbank-Bezeichner

CAS
1227628-78-5
PubChem CID
71307620
DTXSID
DTXSID90745413
EC Number
846-335-3

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,6
Polarare Oberfläche (TPSA)
41,6 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
10

Physikochemische Eigenschaften

Siedepunkt
351.7 · 351.7±22.0 °C(Predicted)
Dichte
1.894 · 1.894±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand
solid
pka
9.68 · 9.68±0.40(Predicted)
InChI
InChI=1S/C6H4BrN3/c7-6-2-1-4-5(9-6)3-8-10-4/h1-3H,(H,8,10)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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, 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 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (50%)；Eye Irrit. 2A (50%)；STOT SE 3 (50%)

Sicherheitsdaten

hs_code
2933998090
risk_code
22
hazard_code
Xn
Speicherklasse
11 - Combustible Solids
Hazard Classifications
Acute Tox. 4 Oral

Chemie und Industrie

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