1-(5-Chloropyridin-2-yl)ethan-1-one

HCID 10154166CAS 94952-46-2

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Grundinformationen

Standard-SMILES: CC(=O)c1ccc(Cl)cn1
InChIKey: VVYMEQBXUFPILB-UHFFFAOYSA-N
Summenformel: C7H6ClNO
Durchschnittliche Molmasse: 155,58 g/mol
Monoisotopische Masse: 155,0137915

Namen und Bezeichner

Bevorzugter Name: 1-(5-Chloropyridin-2-yl)ethan-1-one
IUPAC: 1-(5-chloro-2-pyridinyl)ethanone
Englischer Name: 1-(5-Chloropyridin-2-yl)ethanone
Summenformel: C7H6ClNO
Molmasse: 155.58

Namen und Synonyme

1-(5-CHLOROPYRIDIN-2-YL)ETHAN-1-ONERefChem:426414833-114-11-(5-chloropyridin-2-yl)ethanone94952-46-22-Acetyl-5-chloropyridineMFCD07375071Ethanone, 1-(5-chloro-2-pyridinyl)-1-(5-Chloro-2-pyridyl)ethanoneSCHEMBL1788326EX-A7846PDTXSID30436217

Weitere Namen anzeigen

KML-81KML-1131-(5-chloro-2-pyridinyl)ethanone1-(5-CHLOROPYRIDIN-2-YL)ETHANONE ISO 9001：2015 REACH

AMY7885VVYMEQBXUFPILB-UHFFFAVVYMEQBXUFPILB-UHFFFAOYSA-NAKOS006285359AB41101FS-3462AC-33333SY022264

Datenbank-Bezeichner

CAS: 94952-46-2
PubChem CID: 10154166
DTXSID: DTXSID30436217
EC Number: 833-114-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 30 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 138

Physikochemische Eigenschaften

Siedepunkt: 236.8 · 236.8±20.0 °C(Predicted)
Dichte: 1.233 · 1.233±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 0.72 · 0.72±0.10(Predicted)
InChI: InChI=1S/C7H6ClNO/c1-5(10)7-3-2-6(8)4-9-7/h2-4H,1H3
InChIKey: VVYMEQBXUFPILB-UHFFFAOYSA-N
SMILES: C(=O)(C1=NC=C(Cl)C=C1)C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (66.7%): 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 3 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.