3-Chloro-6-(trifluoromethyl)pyridazine

HCID 28242526

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Grundinformationen

CAS: 258506-68-2
Standard-SMILES: FC(F)(F)c1ccc(Cl)nn1
InChIKey: AZNKQIFEMQHORS-UHFFFAOYSA-N
Summenformel: C5H2ClF3N2
Durchschnittliche Molmasse: 182,53 g/mol
Monoisotopische Masse: 181,9858604

Namen und Bezeichner

Bevorzugter Name: 3-Chloro-6-(trifluoromethyl)pyridazine
IUPAC: 3-chloro-6-(trifluoromethyl)pyridazine
Englischer Name: 3-Chloro-6-trifluoromethyl-pyridazine
Summenformel: C5H2ClF3N2
Molmasse: 182.53

Namen und Synonyme

3-chloro-6-(trifluoromethyl)pyridazine258506-68-2DTXSID50651187RefChem:93478DTXCID20601937674-925-93-chloro-6-trifluoromethyl-pyridazine3-Chloro-6-TrifluoromethylPyridazineMFCD08275188pyridazine, 3-chloro-6-(trifluoromethyl)-SCHEMBL155818AMY6435

Weitere Namen anzeigen

Compound T91753-Chloro-6-(trifluoromethyl)-1,2-diazine3-Chloro-6-trifluoromethyl-pyridazine ISO 9001：2015 REACH

orb2647564SCHEMBL295598383chloro6trifluoromethyl pyridazine3-trifluoromethyl-6-chloropyridazine6-chloro-3-trifluoromethylpyridazine3-Chloro-6-trifluormethyl-pyridazineSBB0545493-chloro-6-(trifluormethyl)pyridazine

Datenbank-Bezeichner

CAS: 258506-68-2
PubChem CID: 28242526
DTXSID: DTXSID50651187
EC Number: 674-925-9
Nikkaji: J1.227.390H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 25,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 138

Physikochemische Eigenschaften

Schmelzpunkt: 55 · 55-59°C
Siedepunkt: 233.3 · 233.3±35.0 °C(Predicted)
Dichte: 1.504 · 1.504
Flammpunkt: 95 ℃ · 95℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -1.53 · -1.53±0.10(Predicted)
Aggregatzustand: solid
Farbe: Light yellow
InChI: InChI=1S/C5H2ClF3N2/c6-4-2-1-3(10-11-4)5(7,8)9/h1-2H
InChIKey: AZNKQIFEMQHORS-UHFFFAOYSA-N
SMILES: C1(Cl)=NN=C(C(F)(F)F)C=C1
CAS Datenbank: 258506 · 258506-68-2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (92.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (92.9%)

Sicherheitsdaten

wgk: 3
ridadr: 2811
hs_code: 29339900
risk_code: 25-36/38
hazard_code: T
safety_code: 26-45-24/25
hazard_class: 6.1
packing_group: Ⅲ
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2

Chemie und Industrie

Anwendungen

Verwenden3-Chloro-6-(trifluoromethyl)pyridazine is a general reagent for use in the repositioning of antitubercular oxazoles for certain neglected tropical diseases.