2,4-Dichloro-5-(trifluoromethyl)pyrimidine

HCID 2782774CAS 3932-97-6

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Grundinformationen

Standard-SMILES: FC(F)(F)c1cnc(Cl)nc1Cl
InChIKey: IDRUEHMBFUJKAK-UHFFFAOYSA-N
Summenformel: C5HCl2F3N2
Durchschnittliche Molmasse: 216,97 g/mol
Monoisotopische Masse: 215,94688805

Namen und Bezeichner

Bevorzugter Name: 2,4-Dichloro-5-(trifluoromethyl)pyrimidine
IUPAC: 2,4-dichloro-5-(trifluoromethyl)pyrimidine
Englischer Name: 2,4-Dichloro-5-trifluoromethylpyrimidine
Summenformel: C5HCl2F3N2
Molmasse: 216.98

Namen und Synonyme

2,4-Dichloro-5-(trifluoromethyl)pyrimidine3932-97-6DTXSID10382283EC 609-648-4RefChem:82332DTXCID80333308609-648-42,4-Dichloro-5-trifluoromethylpyrimidine2,4-Dichloro-5-trifluoromethyl-pyrimidineMFCD034264082,6-Dichloro-5-trifluoromethylpyrimidine; 5-Trifluoromethyl-2,4-dichloropyrimidinePYRIMIDINE, 2,4-DICHLORO-5-(TRIFLUOROMETHYL)-

Weitere Namen anzeigen

2,4-Dichloro-5-trifl4-Dichloro-5-(trifluoroMethyl)2,4-Dichloro-5-(trifluoroMethyl)4-(broMoMethyl)-3-chlorobenzaMide2,6-Dichloro-5-trifluoromethylpyrimidine5-TRIFLUOROMETHYL-2,4-DICHLOROPYRIMIDINE2,4-Dichloro-5-(trifluoromethyl)-1,3-diazine2,4-Dichloro-5-(trifluoroMethyl)pyriMidine 97%

SCHEMBL153856SCHEMBL29392215CS-D0902SBB095342AKOS005063355AB14881AC-6522FD11927

Datenbank-Bezeichner

CAS: 3932-97-6
PubChem CID: 2782774
DTXSID: DTXSID10382283
EC Number: 609-648-4
Nikkaji: J3.064.231G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 25,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 163

Experimentelle und physikochemische Eigenschaften

PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

Physikochemische Eigenschaften

Siedepunkt: 49 ℃/32mm · 49℃/32mm
Dichte: 1.609 g/mL · 1.609 g/mL at 25 °C
Brechungsindex: 1.4749 · 1.4749
Flammpunkt: 200 · 200 ºF
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform, Methanol
Aggregatzustand: Clear Colorless to Pale Yellow Liquid
pka: -4.89 · -4.89±0.29(Predicted)
InChI: InChI=1S/C5HCl2F3N2/c6-3-2(5(8,9)10)1-11-4(7)12-3/h1H
InChIKey: VABVSVZAESMOCH-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=C(C(F)(F)F)C(Cl)=N1
CAS Datenbank: 3932 · 3932-97-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H300 (84.1%): Fatal 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 63 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 07-10-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/6531

Hazard Classes and CategoriesAcute Tox. 2 (84.1%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2810
hs_code: 29335990
risk_code: 36/37/38-36-25
hazard_code: Xi,C,T
hazard_note: Irritant
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: Ⅲ
Speicherklasse: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: Acute Tox. 2 OralEye Irrit. 2

Chemie und Industrie

Anwendungen

Verwenden2,4-Dichloro-5-trifluoromethylpyrimidine is a reactant in the preparation of pyrimidine derivatives as inhibitors of gene ALK protein Kinase phosphorylating kinase and as cell proliferation inhibitors.