CAS 33034-67-2 2-Chloro-4-(trifluoromethyl)pyrimidine (HCID 2773912)

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Grundinformationen

CAS: 33034-67-2
Standard-SMILES: FC(F)(F)c1ccnc(Cl)n1
InChIKey: FZRBTBCCMVNZBD-UHFFFAOYSA-N
Summenformel: C5H2ClF3N2
Durchschnittliche Molmasse: 182,53 g/mol
Monoisotopische Masse: 181,9858604

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-4-(trifluoromethyl)pyrimidine
IUPAC: 2-chloro-4-(trifluoromethyl)pyrimidine
Englischer Name: 2-Chloro-4-(trifluoromethyl)pyrimidine
Summenformel: C5H2ClF3N2
Molmasse: 182.53

Namen und Synonyme

2-Chloro-4-(trifluoromethyl)pyrimidine33034-67-2DTXSID60378772RefChem:258729DTXCID10329799628-303-9MFCD001151112-chloro-4-trifluoromethylpyrimidine2-chloro-4-trifluoromethyl pyrimidineSCHEMBL17959trifluoromethylchloropyrimidineSCHEMBL789681

Weitere Namen anzeigen

IFLAB-BB F13BUTTPARK 27\08-694-(TRIFLUOROMETHYL)-2-CHLOROPYRIMIDINEPyrimidine, 2-chloro-4-(trifluoromethyl)-2-Chloro-4-(trifluoromethyl)pyrimidine99%2-Chloro-4-(trifluoromethyl)pyrimidine 99%2-Chloro-4-(trifluoromethyl)pyrimidine >2-Chloro-4-(trifluoromethyl)pyrimidine ISO 9001：2015 REACH

orb3031399SCHEMBL31038939Fr124622-chloro-4-trifluoromethylpyrimidin2-chlor-4-trifluoromethyl-pyrimidine2-chloro-4-trifluromethyl-pyrimidineSBB0544802-Chloro-4-trifluoromethyl-pyrimidine

Datenbank-Bezeichner

CAS: 33034-67-2
PubChem CID: 2773912

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
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

Siedepunkt: 60 °C10 · 60 °C10 mm Hg(lit.)
Dichte: 1.513 g/mL · 1.513 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.447(lit.)
Flammpunkt: 120 °F · 120 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Löslichkeit: DMSO (Slightly), Methanol (Very Slightly)
pka: -3.98 · -3.98±0.20(Predicted)
Aggregatzustand: Liquid
Farbe: Clear colorless to light yellow
Wichte: 1.513 · 1.5130
InChI: 1S/C5H2ClF3N2/c6-4-10-2-1-3(11-4)5(7,8)9/h1-2H
InChIKey: FZRBTBCCMVNZBD-UHFFFAOYSA-N
SMILES: FC(F)(F)c1ccnc(Cl)n1
CAS Datenbank: 33034 · 33034-67-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 29335990
risk_code: 10-36/37/38
hazard_code: Xi,F
hazard_note: Irritant
safety_code: 16-26-36-37/39
hazard_class: 3.2
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Chloro-4-(trifluoromethyl)pyrimidine may be used to investigate the effect of chemical substitutions on the interfacial interactions of pyrimidines with the phospholipid-mimic immobilized-artificial-membrane (IAM) chromatographic stationary phase. Monocyclic pyrimidine nucleic acid bases (nucleobases) were reported to behave differently from their bicyclic purine analogs.