5-Bromoimidazo(1,2-a)pyridine

HCID 13037241

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Grundinformationen

CAS: 69214-09-1
Standard-SMILES: Brc1cccc2nccn12
InChIKey: CCOFGVWHMYYDBG-UHFFFAOYSA-N
Summenformel: C7H5BrN2
Durchschnittliche Molmasse: 197,03 g/mol
Monoisotopische Masse: 195,96361

Namen und Bezeichner

Bevorzugter Name: 5-Bromoimidazo(1,2-a)pyridine
IUPAC: 5-bromoimidazo[1,2-a]pyridine
Englischer Name: 5-BROMO-IMIDAZO[1,2-A]PYRIDINE
Summenformel: C7H5BrN2
Molmasse: 197.03

Namen und Synonyme

5-Bromoimidazo[1,2-a]pyridine69214-09-1DTXSID105159985-Bromoimidazo(1,2-a)pyridineRefChem:102203DTXCID60466805640-633-55-Bromo-imidazo[1,2-a]pyridineMFCD08275698IMIDAZO[1,2-A]PYRIDINE, 5-BROMO-5-BROMOH-IMIDAZO[1,2-A]PYRIDINESCHEMBL10247

Weitere Namen anzeigen

5-BROMOIMIDAZO[1,2-A]PYRIDINE, 95+%5-BROMO-5H-IMIDAZO[2,1-B][1,3]OXAZINE5-Bromo-1,5-dihydroimidazo[1,2-a]pyridine

SCHEMBL4210791CCOFGVWHMYYDBG-UHFFFAOYSA-NUCA21409SBB092099AKOS006287450CS-W003496PB32607PS-4741

Datenbank-Bezeichner

CAS: 69214-09-1
PubChem CID: 13037241
DTXSID: DTXSID10515998
EC Number: 640-633-5
Nikkaji: J3.519.579C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 17,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 129

Physikochemische Eigenschaften

Schmelzpunkt: 61 · 61-64℃
Dichte: 1.69 · 1.69±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), DMSO (Slightly)
Aggregatzustand: Solid
pka: 5.15 · 5.15±0.50(Predicted)
Farbe: Pale Brown to Light Brown
InChI: InChI=1S/C7H5BrN2/c8-6-2-1-3-7-9-4-5-10(6)7/h1-5H
InChIKey: CCOFGVWHMYYDBG-UHFFFAOYSA-N
SMILES: C12=NC=CN1C(Br)=CC=C2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (33.3%): 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]；H332 (16.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, 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 6 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.