1-Phenyl-2-pyrazin-2-yl ethanone

HCID 520977CAS 40061-45-8

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Grundinformationen

Standard-SMILES: O=C(Cc1cnccn1)c1ccccc1
InChIKey: WUYTZBFFXRNJSB-UHFFFAOYSA-N
Summenformel: C12H10N2O
Durchschnittliche Molmasse: 198,22 g/mol
Monoisotopische Masse: 198,07931295

Namen und Bezeichner

Bevorzugter Name: 1-Phenyl-2-pyrazin-2-yl ethanone
IUPAC: 1-phenyl-2-pyrazin-2-ylethanone
Englischer Name: 1-Phenyl-2-pyrazin-2-ylethanone
Summenformel: C12H10N2O
Molmasse: 198.22

Namen und Synonyme

1-Phenyl-2-pyrazin-2-yl ethanoneRefChem:435583674-347-71-phenyl-2-pyrazin-2-ylethanone40061-45-81-phenyl-2-(pyrazin-2-yl)ethanone1-phenyl-2-(pyrazin-2-yl)ethan-1-oneMFCD040379061-phenyl-2-pyrazin-2-ylethan-1-onephenacylpyrazinePhenacyl pyrazine1-phenyl-2-pyrazin-2-yl-ethanone

Weitere Namen anzeigen

Ethanone, 1-phenyl-2-(2-pyrazinyl)-1-Phenyl-2-(pyrazin-2-yl)ethan-1-one 95+%2-(Benzoylmethyl)-1,4-diazine, 2-Phenacylpyrazine

SCHEMBL1515801DTXSID00334514WUYTZBFFXRNJSB-UHFFFAOYSA-NSBB092299AKOS009157461PS-6001CS-0327449ST51042173

Datenbank-Bezeichner

CAS: 40061-45-8
PubChem CID: 520977
DTXSID: DTXSID00334514
EC Number: 674-347-7
Nikkaji: J620.974B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 42,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 15
Formalladung: 0
Komplexität: 212

Physikochemische Eigenschaften

Schmelzpunkt: 82 · 82.0-83.0 °C
Siedepunkt: 343.4 · 343.4±27.0 °C(Predicted)
Dichte: 1.179 · 1.179±0.06 g/cm3(Predicted)
pka: 0.51 · 0.51±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, 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 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.