2-(4-Bromophenyl)-6-methylimidazo[1,2-a]pyridine

HCID 837893

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 1023-01-4
Standard-SMILES: Cc1ccc2nc(-c3ccc(Br)cc3)cn2c1
InChIKey: OUTIKDPVXLJCLK-UHFFFAOYSA-N
Summenformel: C14H11BrN2
Durchschnittliche Molmasse: 287,15 g/mol
Monoisotopische Masse: 286,01056

Namen und Bezeichner

Bevorzugter Name: 2-(4-Bromophenyl)-6-methylimidazo[1,2-a]pyridine
IUPAC: 2-(4-bromophenyl)-6-methylimidazo[1,2-a]pyridine
Englischer Name: 2-(4-Bromophenyl)-6-methylimidazo(1,2-a&
Summenformel: C14H11BrN2
Molmasse: 287.15

Namen und Synonyme

2-(4-Bromophenyl)-6-methylimidazo[1,2-a]pyridineDTXSID403569322-(4-Bromophenyl)-6-methylimidazo(1,2-a)pyridineRefChem:457097DTXCID10307991622-470-11023-01-4MFCD00444784Imidazo[1,2-a]pyridine, 2-(4-bromophenyl)-6-methyl-CHEMBL78765MLS001203476BDBM50122788

Weitere Namen anzeigen

2-(4-Bromophenyl)-6-methylimidazo[1,2-aa]pyridineJR-6930, 2-(4-Bromophenyl)-6-methylH-imidazo[1,2-a]pyridine, 97%

2-(4-Bromo-phenyl)-6-methyl-imidazo[1,2-a]pyridine2-(4-Bromophenyl)-6-methylH-imidazo[1,2-a]pyridineAS-68952F1018-04032-(4-bromo-phenyl)-6-methyl-imidazo [1,2-a] pyridineOprea1_68BAS 00600998Oprea1_232242

Datenbank-Bezeichner

CAS: 1023-01-4
PubChem CID: 837893
DTXSID: DTXSID40356932
ChEMBL: CHEMBL78765
EC Number: 622-470-1
Nikkaji: J2.170.159I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,5
Polarare Oberfläche (TPSA): 17,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 17
Formalladung: 0
Komplexität: 263

Experimentelle und physikochemische Eigenschaften

Solubility<0.3 [ug/mL] (The mean of the results at pH 7.4)

Physikochemische Eigenschaften

Schmelzpunkt: 214 · 214-218 °C
Dichte: 1.43 · 1.43±0.1 g/cm3(Predicted)
storage temp.: Store at room temperature
pka: 6.78 · 6.78±0.50(Predicted)
Aggregatzustand: solid
InChI: 1S/C14H11BrN2/c1-10-2-7-14-16-13(9-17(14)8-10)11-3-5-12(15)6-4-11/h2-9H,1H3
InChIKey: OUTIKDPVXLJCLK-UHFFFAOYSA-N
SMILES: Cc1ccc2nc(cn2c1)-c3ccc(Br)cc3

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): 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 43 reports by companies from 3 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.