3-Bromo-2-pentanone

HCID 10012249CAS 815-48-5

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Grundinformationen

Standard-SMILES: CCC(Br)C(C)=O
InChIKey: VKJQRFXZZVMMGA-UHFFFAOYSA-N
Summenformel: C5H9BrO
Durchschnittliche Molmasse: 165,03 g/mol
Monoisotopische Masse: 163,98368

Namen und Bezeichner

Bevorzugter Name: 3-Bromo-2-pentanone
IUPAC: 3-bromopentan-2-one
Englischer Name: 2-Pentanone, 3-bromo-
Summenformel: C5H9BrO
Molmasse: 165.03

Namen und Synonyme

3-bromo-2-pentanone815-48-5DTXSID70434075RefChem:277363DTXCID903849023-bromopentan-2-one2-Pentanone, 3-bromo-3-bromo-pentan-2-one3-Brom-pentanon-(2)SCHEMBL539353VKJQRFXZZVMMGA-UHFFFAOYSA-NAAA81548

Weitere Namen anzeigen

2-Pentanone, 3-bromo-

EN300-366009

Datenbank-Bezeichner

CAS: 815-48-5
PubChem CID: 10012249
DTXSID: DTXSID70434075
EC Number: 876-248-6
Nikkaji: J698.887C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 7
Formalladung: 0
Komplexität: 70

Physikochemische Eigenschaften

Siedepunkt: 53 °C · 53 °C(Press: 14 Torr)
Dichte: 1.355 · 1.355±0.06 g/cm3(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；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]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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.