4-Bromo-1H-pyrrolo(2,3-c)pyridine

HCID 12510055

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Grundinformationen

CAS: 69872-17-9
Standard-SMILES: Brc1cncc2[nH]ccc12
InChIKey: NZUWATDXQMWXMY-UHFFFAOYSA-N
Summenformel: C7H5BrN2
Durchschnittliche Molmasse: 197,03 g/mol
Monoisotopische Masse: 195,96361

Namen und Bezeichner

Bevorzugter Name: 4-Bromo-1H-pyrrolo(2,3-c)pyridine
IUPAC: 4-bromo-1H-pyrrolo[2,3-c]pyridine
Englischer Name: 4-bromo-1H-pyrrolo[2,3-c]pyridine
Summenformel: C7H5BrN2
Molmasse: 197.03

Namen und Synonyme

4-bromo-1H-pyrrolo[2,3-c]pyridine69872-17-9DTXSID605008544-Bromo-1H-pyrrolo(2,3-c)pyridineRefChem:290546DTXCID50451664867-030-14-Bromo-6-azaindoleMFCD118477681H-Pyrrolo[2,3-c]pyridine, 4-bromo-SCHEMBL529739AKOS007930881

Weitere Namen anzeigen

4-BroM-6-azaindol4-Bromo-6-azaindole 97%4-broMo-1H-pyrrolo[2,3-c]pyridin1H-PYRROLO[2,3-C]-PYRIDINE,4-BROMO-4-Bromo-1H-pyrrolo[2,3-c]pyridine (69872-17-9)

CS-W019705FS-3369PB31599AC-22993SY028295A9239AM200614544-bromo-1H-pyrrolo[23-c]pyridine

Datenbank-Bezeichner

CAS: 69872-17-9
PubChem CID: 12510055
DTXSID: DTXSID60500854
EC Number: 867-030-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 28,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 129

Physikochemische Eigenschaften

Schmelzpunkt: 188 · 188-189℃
Siedepunkt: 337.6 · 337.6±22.0 °C(Predicted)
Dichte: 1.77 · 1.770
storage temp.: 2 · 2-8°C(protect from light)
pka: 13.73 · 13.73±0.40(Predicted)
Aggregatzustand: solid
Farbe: White to light brown
InChI: InChI=1S/C7H5BrN2/c8-6-3-9-4-7-5(6)1-2-10-7/h1-4,10H
InChIKey: NZUWATDXQMWXMY-UHFFFAOYSA-N
SMILES: C1=NC=C(Br)C2C=CNC1=2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

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 (100%): 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.