2,4,6-Trifluorpyrimidin

2,4,6-Trifluoropyrimidine

HCID 69677CAS 696-82-2

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Grundinformationen

Standard-SMILES: Fc1cc(F)nc(F)n1
InChIKey: NTSYSQNAPGMSIH-UHFFFAOYSA-N
Summenformel: C4HF3N2
Durchschnittliche Molmasse: 134,06 g/mol
Monoisotopische Masse: 134,00918253

Namen und Bezeichner

Bevorzugter Name: 2,4,6-Trifluoropyrimidine
IUPAC: 2,4,6-trifluoropyrimidine
Lokaler Name: 2,4,6-Trifluorpyrimidin
Englischer Name: 2,4,6-TRIFLUOROPYRIMIDINE
Summenformel: C4HF3N2
Molmasse: 134.06

Namen und Synonyme

2,4,6-Trifluoropyrimidine696-82-2Pyrimidine, 2,4,6-trifluoro-EINECS 211-801-1DTXSID40219876RefChem:82123DTXCID90142367211-801-1NTSYSQNAPGMSIH-UHFFFAOYSA-NMFCD000397052,4, 6-trifluoropyrimidineSCHEMBL113096

Weitere Namen anzeigen

2,4,6-TRIFLUOROPYRIMIDEPyriMidine,2,4,6-trifluoro-2,4,6-Trifluoropyrimidine,98%2,4,6-Trifluoropyrimidine 98%2-(2-chloroethyl)benzo[f]isoindole-1,3-dione2,4,6-TRIFLUOROPYRIMIDINE ISO 9001：2015 REACHPyrimidine, 2,4,6-trifluoro- (6CI,7CI,8CI,9CI)

AKOS005259689CS-W011072SB57442AC-26652DS-10783AMY128A9216SCHEMBL5143890

Datenbank-Bezeichner

CAS: 696-82-2
PubChem CID: 69677
DTXSID: DTXSID40219876
EC Number: 211-801-1
Nikkaji: J206.017E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 25,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 89

Physikochemische Eigenschaften

Siedepunkt: 83 °C · 83 °C
Dichte: 1.514 · 1.514±0.06 g/cm3(Predicted)
Brechungsindex: 1.405 · 1.405
Flammpunkt: 100 °C · >100°C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -7.88 · -7.88±0.30(Predicted)
BRN: 607190 · 607190
CAS Datenbank: 696 · 696-82-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (14.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (14.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (42.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.