6-Bromo-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-a)pyridine

HCID 58118906CAS 1166819-53-9

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Grundinformationen

Standard-SMILES: FC(F)(F)c1nnc2ccc(Br)cn12
InChIKey: SYYNJBWDDYHXEY-UHFFFAOYSA-N
Summenformel: C7H3BrF3N3
Durchschnittliche Molmasse: 266,02 g/mol
Monoisotopische Masse: 264,94624

Namen und Bezeichner

Bevorzugter Name: 6-Bromo-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-a)pyridine
IUPAC: 6-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
Englischer Name: 1,2,4-Triazolo[4,3-a]pyridine, 6-broMo-3-(trifluoroMethyl)-
Summenformel: C7H3BrF3N3
Molmasse: 266.02

Namen und Synonyme

6-Bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine6-Bromo-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-a)pyridineRefChem:540861997-541-61166819-53-9MFCD111117001,2,4-Triazolo[4,3-a]pyridine, 6-broMo-3-(trifluoroMethyl)-6-Bromo-3-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridineSCHEMBL667109DTXSID80728836RWB81953AKOS022675376

Weitere Namen anzeigen

113611

SB75221AS-36071SY031656DB-107968CS-0171509F2145556-Bromo-3-(trifluoromethyl)[1,2,4]-Triazole[4,3,a]pyridine

Datenbank-Bezeichner

CAS: 1166819-53-9
PubChem CID: 58118906
DTXSID: DTXSID80728836
EC Number: 997-541-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 30,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 0
Schwere Atome: 14
Formalladung: 0
Komplexität: 223

Physikochemische Eigenschaften

Dichte: 1.96 · 1.96±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: -0.83 · -0.83±0.50(Predicted)
InChI: InChI=1S/C7H3BrF3N3/c8-4-1-2-5-12-13-6(7(9,10)11)14(5)3-4/h1-3H
InChIKey: SYYNJBWDDYHXEY-UHFFFAOYSA-N
SMILES: C12=NN=C(C(F)(F)F)N1C=C(Br)C=C2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.