4-(Bromomethyl)-1,2-dihydroquinolin-2-one

HCID 268296CAS 4876-10-2

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Grundinformationen

Standard-SMILES: O=c1cc(CBr)c2ccccc2[nH]1
InChIKey: BBAHJCUCNVVEQU-UHFFFAOYSA-N
Summenformel: C10H8BrNO
Durchschnittliche Molmasse: 238,08 g/mol
Monoisotopische Masse: 236,97892598

Namen und Bezeichner

Bevorzugter Name: 4-(Bromomethyl)-1,2-dihydroquinolin-2-one
IUPAC: 4-(bromomethyl)-1H-quinolin-2-one
Englischer Name: 4-Bromomethyl-1,2-dihydroquinoline-2-one
Summenformel: C10H8BrNO
Molmasse: 238.08

Namen und Synonyme

4-(bromomethyl)-1,2-dihydroquinolin-2-oneRefChem:515301679-473-64876-10-24-bromomethyl-1,2-dihydroquinoline-2-one4-(bromomethyl)quinolin-2(1h)-one4-(Bromomethyl)-2(1H)-quinolinone4-BROMOMETHYL-2(1H)-QUINOLINONE4-(bromomethyl)-1H-quinolin-2-one2(1H)-Quinolinone, 4-(bromomethyl)-4-Bromomethyl-1,2-Dihydroquinolin-2-OneMFCD03426152

Weitere Namen anzeigen

ST5431943ine-2-oneZINC01700618Rebamipide Impurity 134-BROMOMETHYLQUINOLINONE4-Bromomethyl Carbostyril4-Bromomethyl-2-quinolinol4-broMoMethyl-quinolin-2-one4-Bromomethyl-2(1H)-quinolone

4-Bromomethyl-1H-quinolin-2-one4-Bromomethyl Carbostryill2-HYDROXY-4-BROMO METHYL QUINOLINE4-(Bromomethyl)-2-quinolinone4-(bromomethyl)hydroquinolin-2-oneNSC1084554-bromomethylquinolinon4-bromomethylcarbostyril

Datenbank-Bezeichner

CAS: 4876-10-2
PubChem CID: 268296
DTXSID: DTXSID60296245
UNII: ADB74VHW4L
EC Number: 679-473-6
Nikkaji: J243.057F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 29,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 249

Physikochemische Eigenschaften

Schmelzpunkt: 255 · 255-258°C
Siedepunkt: 391.8 · 391.8±42.0 °C(Predicted)
Dichte: 1.542 · 1.542±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: powder to crystal
pka: 11.17 · 11.17±0.70(Predicted)
Farbe: White to Light yellow to Light orange
InChI: InChI=1S/C10H8BrNO/c11-6-7-5-10(13)12-9-4-2-1-3-8(7)9/h1-5H,6H2,(H,12,13)
InChIKey: BBAHJCUCNVVEQU-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC=C2)C(CBr)=CC1=O
CAS Datenbank: 4876 · 4876-10-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (85.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.