2-(Trifluoromethyl)imidazo[1,2-a]pyrazine

HCID 3231306CAS 109113-96-4

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Grundinformationen

Standard-SMILES: FC(F)(F)c1cn2ccncc2n1
InChIKey: GZOZMIOBJGXNBA-UHFFFAOYSA-N
Summenformel: C7H4F3N3
Durchschnittliche Molmasse: 187,12 g/mol
Monoisotopische Masse: 187,03573179

Namen und Bezeichner

Bevorzugter Name: 2-(Trifluoromethyl)imidazo[1,2-a]pyrazine
IUPAC: 2-(trifluoromethyl)imidazo[1,2-a]pyrazine
Englischer Name: 2-(Trifluoromethyl)imidazol[1,2-a]pyrazine
Summenformel: C7H4F3N3
Molmasse: 187.12

Namen und Synonyme

2-(trifluoromethyl)imidazo[1,2-a]pyrazine109113-96-4DTXSID103905002-(trifluoromethyl)imidazo(1,2-a)pyrazineRefChem:254919DTXCID20341361823-734-02-(TRIFLUOROMETHYL)-IMIDAZO[1,2-A]PYRAZINEMFCD052488782-(TRIFLUOROMETHYL)IMIDAZOL[1,2-A]PYRAZINESCHEMBL108852CS-B1219

Weitere Namen anzeigen

Imidazo[1,2-a]pyrazine, 2-(trifluoromethyl)-

AKOS005255618AB216872-Trifluoromethyl-imidazo[1,2-a]pyrazineAS-42755DB-0139432-(trifluoromethyl)imidazo[1,2-alpha]pyrazineEN300-2265662-(trifluoromethyl) imidazol [1,2-a] pyrazine

Datenbank-Bezeichner

CAS: 109113-96-4
PubChem CID: 3231306
DTXSID: DTXSID10390500
EC Number: 823-734-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 30,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 0
Schwere Atome: 13
Formalladung: 0
Komplexität: 194

Physikochemische Eigenschaften

Dichte: 1.52 · 1.52
pka: 0.09 · 0.09±0.30(Predicted)
Aggregatzustand: solid
InChI: 1S/C7H4F3N3/c8-7(9,10)5-4-13-2-1-11-3-6(13)12-5/h1-4H
InChIKey: GZOZMIOBJGXNBA-UHFFFAOYSA-N
SMILES: FC(F)(F)c1nc2[n](c1)ccnc2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (50%)

Sicherheitsdaten

wgk: WGK 3
ridadr: UN 2811 6.1 / PGIII
hs_code: 2933998090
risk_code: 43
safety_code: 36/37
hazard_class: IRRITANT
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralSkin Sens. 1