N,N-Dimethyl 4-iodo-1H-imidazole-1-sulfonamide

HCID 2773390CAS 135773-25-0

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Grundinformationen

Standard-SMILES: CN(C)S(=O)(=O)n1cnc(I)c1
InChIKey: HSJHNZMKMJPPGU-UHFFFAOYSA-N
Summenformel: C5H8IN3O2S
Durchschnittliche Molmasse: 301,11 g/mol
Monoisotopische Masse: 300,9381955

Namen und Bezeichner

Bevorzugter Name: N,N-Dimethyl 4-iodo-1H-imidazole-1-sulfonamide
IUPAC: 4-iodo-N,N-dimethylimidazole-1-sulfonamide
Englischer Name: N,N-Dimethyl 4-iodo-1H-imidazole-1-sulfonamide
Summenformel: C5H8IN3O2S
Molmasse: 301.11

Namen und Synonyme

N,N-Dimethyl 4-iodo-1H-imidazole-1-sulfonamideRefChem:822360801-886-9135773-25-04-Iodo-N,N-dimethyl-1H-imidazole-1-sulfonamideN,N-Dimethyl-4-iodo-1H-imidazole-1-sulfonamide4-iodo-N,N-dimethylimidazole-1-sulfonamideMFCD021795434-iodo-N,N-dimethyl-imidazole-1-sulfonamideN,N-Dimethyl-4-iodo-1H-imidazole-1-sulphonamide1H-Imidazole-1-sulfonamide, 4-iodo-N,N-dimethyl-SCHEMBL2383891

Weitere Namen anzeigen

N,N-Dimethyl 4-iodo-1H-imidazole-1-(Dimethylsulfamoyl)-4-iodo-1H-imidazoleN,N-DIMENTHYL-4-IODO-1H-IMIDAZOLE-1SULFONAN,N-Dimethyl-4-iodo-1H-imidazol-1-sulfonamideN,N-DIMETHYL 4-IODO-1H-IMIDAZOLE-1-SULPHONAMIDEN,N-DIMETHYL 4-IODO-1H-IMIDAZOLE-1-SULFONAMIDE USP/EP/BP

HSJHNZMKMJPPGU-UHFFFAOYSA-DTXSID10378429HSJHNZMKMJPPGU-UHFFFAOYSA-NAKOS015853972AB11335AS-17908SY2681401-(N,N-dimethylsulfamoyl)-4-iodoimidazole

Datenbank-Bezeichner

CAS: 135773-25-0
PubChem CID: 2773390
DTXSID: DTXSID10378429
EC Number: 801-886-9
Nikkaji: J427.136J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 63,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 248

Physikochemische Eigenschaften

Schmelzpunkt: 119 · 119-122°C
Siedepunkt: 387.3 · 387.3±34.0 °C(Predicted)
Dichte: 2.04 · 2.04±0.1 g/cm3(Predicted)
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
Aggregatzustand: solid
pka: -0.04 · -0.04±0.61(Predicted)
Farbe: white
CAS Datenbank: 135773 · 135773-25-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.