1-(2-Bromo-4-chlorophenyl)ethanone

HCID 4712644CAS 825-40-1

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Grundinformationen

Standard-SMILES: CC(=O)c1ccc(Cl)cc1Br
InChIKey: URBATMJMOGHOCE-UHFFFAOYSA-N
Summenformel: C8H6BrClO
Durchschnittliche Molmasse: 233,49 g/mol
Monoisotopische Masse: 231,92906

Namen und Bezeichner

Bevorzugter Name: 1-(2-Bromo-4-chlorophenyl)ethanone
IUPAC: 1-(2-bromo-4-chlorophenyl)ethanone
Englischer Name: 2-Bromo-4'-chloroacetophenone
Summenformel: C8H6BrClO
Molmasse: 233.49

Namen und Synonyme

1-(2-bromo-4-chlorophenyl)ethanone825-40-1DTXSID80405736RefChem:223210DTXCID903565882-Bromo-4-chloroacetophenone4-acetyl-3-bromo-1-chlorobenzene1-(2-bromo-4-chlorophenyl)ethan-1-oneMFCD026830632'-BROMO-4'-CHLOROACETOPHENONEEthanone, 1-(2-bromo-4-chlorophenyl)-SCHEMBL616449

Weitere Namen anzeigen

2-Bromo-4'-chloroacetophenone2’-Bromo-4’-chloroacetophenone1-(2-BROMO-4-CHLORO-PHENYL)-ETHANONE

Ethanone,1-(2-bromo-4-chlorophenyl)-1-(2-bromo-4-chloro-phenyl)ethanoneSCHEMBL7576795SCHEMBL29526339URBATMJMOGHOCE-UHFFFAOYSA-NAKOS015891315CS-W004840AC-28641

Datenbank-Bezeichner

CAS: 825-40-1
PubChem CID: 4712644
DTXSID: DTXSID80405736
EC Number: 672-231-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 160

Physikochemische Eigenschaften

Schmelzpunkt: 44 °C · 44 °C
Siedepunkt: 145 °C · 145 °C(Press: 12 Torr)
Dichte: 1.566 · 1.566±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
InChI: InChI=1S/C8H6BrClO/c1-5(11)7-3-2-6(10)4-8(7)9/h2-4H,1H3
InChIKey: URBATMJMOGHOCE-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C(Cl)C=C1Br)C
CAS Datenbank: 825 · 825-40-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.