1-((2-(2,4-Difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole, (2R-cis)- (HCID 10131191)

Namen und Bezeichner

Bevorzugter Name: 1-((2-(2,4-Difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole, (2R-cis)-
IUPAC: 1-[[(2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl]methyl]-1,2,4-triazole
Englischer Name: 1. 1-(((2R, 3S)-2-(2,4-difluorophenyl)-3-Methyloxiran-2-yl) Methyl)-1H-1,2,4-triazole
Summenformel: C12H11F2N3O
Molmasse: 251.23

Namen und Synonyme

127000-90-21-(((2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole1-{[(2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl]methyl}-1H-1,2,4-triazoleD1JO8189W71H-1,2,4-Triazole, 1-[[(2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiranyl]methyl]-UNII-D1JO8189W71-((2-(2,4-Difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole, (2R-cis)-1H-1,2,4-Triazole, 1-((2-(2,4-difluorophenyl)-3-methyloxiranyl)methyl)-, (2R-cis)-1H-1,2,4-Triazole, 1-(((2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiranyl)methyl)-1-[[(2R,3S)-2-(2,4-Difluorophenyl)-3-methyloxiran-2-yl]methyl]-1H-1,2,4-triazoleRefChem:196877132563-77-0

Weitere Namen anzeigen

(2R,3S)-2-(2,4-Difluorophenyl)-3-methyl-[(1H-1,2,4-triazol-1-yl)methyl]oxirane1-(((2R,3S)-2-(2,4-DIFLUOROPHENYL)-3-METHYLOXIRAN-2-YL) METHYL)-1H-1,2,4-TRIAZOLEC12H1F2N3O(2R,3S)-2-(Efinaconazole intEfinaconazole Impurity JEfluconazole impurity 421. 1-(((2R, 3S)-2-(2,4-difluorophe1. 1-(((2R, 3S)-2-(2,4-difluorophenyl)-3-Methyloxiran-2-yl)1-(((2R,3S)-2-(2,4-Difluorophenyl)-3-methyloxiran-2-yl) meth...

MFCD098338671. 1-(((2R, 3S)-2-(2,4-difluorophenyl)-3-Methyloxiran-2-yl) Methyl)-1H-1,2,4-triazole1-[[(2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl]methyl]-1,2,4-triazole1-[[(2R,3S)-2-(2,4-difluorophenyl)-3-Methyloxiranyl]Methyl]-1H-1,2,4-Triazole(2R,3S)-2-(2,4-difluorophenyl)-3-methyl-2-[(1H-1,2,4-triazole-1-yl)methyl]oxiraneC12H11F2N3Orel-1-(((2R,3S)-2-(2,4-DIFLUOROPHENYL)-3-METHYLOXIRAN-2-YL)METHYL)-1H-1,2,4-TRIAZOLEQANJLSHZDUOBBP-QPUJVOFHSA-N

Datenbank-Bezeichner

CAS: 127000-90-2
PubChem CID: 10131191
UNII: D1JO8189W7
EC Number: 806-540-0
Nikkaji: J424.587C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 43,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 3
Schwere Atome: 18
Formalladung: 0
Komplexität: 320

Physikochemische Eigenschaften

Siedepunkt: 371.6 · 371.6±52.0 °C(Predicted)
Dichte: 1.41 · 1.41±0.1 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
Löslichkeit: Chloroform (Sparingly), Methanol (Sparingly)
pka: 2.75 · 2.75±0.10(Predicted)
Aggregatzustand: Solid
Farbe: White to Off-White
Stabilität: Light Sensitive
InChI: InChI=1S/C12H11F2N3O/c1-8-12(18-8,5-17-7-15-6-16-17)10-3-2-9(13)4-11(10)14/h2-4,6-8H,5H2,1H3/t8-,12+/m0/s1
InChIKey: QANJLSHZDUOBBP-QPUJVOFHSA-N
SMILES: N1(C[C@]2(C3=CC=C(F)C=C3F)[C@H](C)O2)C=NC=N1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 3 reports by companies.；There is 1 notification provided by 2 of 3 reports by companies with hazard statement code(s).；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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)；Eye Irrit. 2 (66.7%)；STOT SE 3 (66.7%)

Sicherheitsdaten

Alarmwort: Warnung
Gefahrenhinweise: Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

Chemie und Industrie

Anwendungen

Verwenden1-[[(2R,3S)-2-(2,4-Difluorophenyl)-3-methyloxiranyl]methyl]-1H-1,2,4-triazole is a useful intermediate for the synthesis of sulfur-containing antifungal azoles was synthesized.