Compound 3

HCID 20788885

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Grundinformationen

CAS: 487041-08-7
Standard-SMILES: O=C1O[C@@H](CO)CN1c1ccc(I)c(F)c1
InChIKey: DIDJTOBWBNSVKL-SSDOTTSWSA-N
Summenformel: C10H9FINO3
Durchschnittliche Molmasse: 337,09 g/mol
Monoisotopische Masse: 336,96112

Namen und Bezeichner

Bevorzugter Name: Compound 3
IUPAC: (5R)-3-(3-fluoro-4-iodophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
Englischer Name: (5R)-3-(3-Fluoro-4-iodophenyl)-5-hydroxymethyloxazolidin-2-one
Summenformel: C10H9FINO3
Molmasse: 337.09

Namen und Synonyme

487041-08-7RefChem:578582634-889-7compound 3(r)-3-(3-fluoro-4-iodophenyl)-5-(hydroxymethyl)oxazolidin-2-one(5R)-3-(3-FLUORO-4-IODOPHENYL)-5-HYDROXYMETHYLOXAZOLIDIN-2-ONE(5R)-3-(3-fluoro-4-iodophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-oneC10H9FINO32-Oxazolidinone, 3-(3-fluoro-4-iodophenyl)-5-(hydroxymethyl)-, (5R)-SCHEMBL1035579DIDJTOBWBNSVKL-SSDOTTSWSA-NCS-M1497

Weitere Namen anzeigen

(5R-3-(3-Fluoro-4-Iodophenyl-5-Hydroxymethyl-2-Oxazolidinone(5R)-3-(3-fluoro-4-iodophenyl)-5-(hydroxymethyl)-1,3-oxazoli...(5R)-3-(3-Fluoro-4-iodophenyl)-5-hydroxymethyl-1,3-oxazolidin-2-one

(5R)-3-(3-Fluoro-4-iodophenyl)-5-(hydroxymethyl)oxazolidin-2-oneMFCD08166560AKOS027327518CS-13937(R)-3-(4-iodo-3-fluorophenyl)-2-oxo-5-oxazolidinylmethanol(5R)-3-(3-fluoro-4-iodo-phenyl)-5-(hydroxymethyl)oxazolidin-2-one(5R)-3-(3-fluoro-4-iodo-phenyl)-5-hydroxymethyl-oxazolidin-2-one(5R)-(-)-3-[3-fluoro-4-iodophenyl]-5-hydroxymethyl-2-oxazolidinone

Datenbank-Bezeichner

CAS: 487041-08-7
PubChem CID: 20788885
EC Number: 634-889-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 49,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 16
Formalladung: 0
Komplexität: 279

Physikochemische Eigenschaften

Schmelzpunkt: 116 · 116-117℃
Siedepunkt: 420.4 · 420.4±35.0 °C(Predicted)
Dichte: 1.911 · 1.911±0.06 g/cm3(Predicted)
pka: 14.05 · 14.05±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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 39 reports by companies from 2 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.