5-Bromo-1-(cyclopropylmethyl)-1,2-dihydropyridin-2-one

HCID 59635701CAS 1114573-41-9

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Grundinformationen

Standard-SMILES: O=c1ccc(Br)cn1CC1CC1
InChIKey: LYJAMRBVRNCRMA-UHFFFAOYSA-N
Summenformel: C9H10BrNO
Durchschnittliche Molmasse: 228,09 g/mol
Monoisotopische Masse: 226,99458

Namen und Bezeichner

Bevorzugter Name: 5-Bromo-1-(cyclopropylmethyl)-1,2-dihydropyridin-2-one
IUPAC: 5-bromo-1-(cyclopropylmethyl)pyridin-2-one
Englischer Name: 5-Bromo-1-(cyclopropylmethyl)pyridin-2(1H)-one
Summenformel: C9H10BrNO
Molmasse: 228.09

Namen und Synonyme

5-bromo-1-(cyclopropylmethyl)-1,2-dihydropyridin-2-one1114573-41-9RefChem:532745987-524-15-bromo-1-(cyclopropylmethyl)pyridin-2(1H)-oneMFCD217466835-bromo-1-(cyclopropylmethyl)pyridin-2-oneSCHEMBL120724LYJAMRBVRNCRMA-UHFFFAOYSA-NPUB57341AKOS015654224AT13850

Weitere Namen anzeigen

5-Bromo-1-(cyclopropylmethyl)-2(1H)-pyridinone2(1H)-Pyridinone, 5-bromo-1-(cyclopropylmethyl)-

KS-9188SY155389DB-123838CS-01553895-bromo-1-cyclopropylmethyl-1H-pyridin-2-one5-bromo-1-cyclopropylmethyl-1H-pyridin -2-oneEN300-138713F476211

Datenbank-Bezeichner

CAS: 1114573-41-9
PubChem CID: 59635701
EC Number: 987-524-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 20,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 266

Physikochemische Eigenschaften

Siedepunkt: 319.1 · 319.1±35.0 °C(Predicted)
Dichte: 1.631 · 1.631±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: -0.62 · -0.62±0.70(Predicted)

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 2 reports by companies from 1 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.