2-iodo-1H-imidazole

HCID 2773468CAS 3034-62-6

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Grundinformationen

Standard-SMILES: Ic1ncc[nH]1
InChIKey: MHHDMDLNVVCTAJ-UHFFFAOYSA-N
Summenformel: C3H3IN2
Durchschnittliche Molmasse: 193,97 g/mol
Monoisotopische Masse: 193,9341

Namen und Bezeichner

Bevorzugter Name: 2-iodo-1H-imidazole
IUPAC: 2-iodo-1H-imidazole
Englischer Name: 2-Iodoimidazole
Summenformel: C3H3IN2
Molmasse: 193.97

Namen und Synonyme

2-iodo-1H-imidazoleRefChem:473664627-466-32-Iodoimidazole3034-62-61H-Imidazole, 2-iodo-MFCD00159701iodoimidazoleCHEMBL45354402-Iodoimidazole, 97%SCHEMBL8970SCHEMBL2352737

Weitere Namen anzeigen

2-lodo-1H-imidazole2-Iodoimidazole 97%

DTXSID00378478MHHDMDLNVVCTAJ-UHFFFAOYSA-NBDBM50622814SBB054450AKOS005255524AB04195AC-1054PS-3338

Datenbank-Bezeichner

CAS: 3034-62-6
PubChem CID: 2773468
DTXSID: DTXSID00378478
ChEMBL: CHEMBL4535440
EC Number: 627-466-3
Nikkaji: J1.859.061A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 28,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 6
Formalladung: 0
Komplexität: 48

Physikochemische Eigenschaften

Schmelzpunkt: 182 · 182-186°C
Siedepunkt: 299.3 · 299.3±23.0 °C(Predicted)
Dichte: 2.335 · 2.335±0.06 g/cm3(Predicted)
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
Aggregatzustand: solid
pka: 11.46 · 11.46±0.10(Predicted)
Farbe: white
InChI: 1S/C3H3IN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)
InChIKey: MHHDMDLNVVCTAJ-UHFFFAOYSA-N
SMILES: Ic1ncc[nH]1
CAS Datenbank: 3034 · 3034-62-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 84.4% (38 of 45) of all reports.

Warning

H315 (15.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (15.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (15.6%): 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 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 38 of 45 reports by companies.；There are 3 notifications provided by 7 of 45 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 (15.6%)；Eye Irrit. 2A (15.6%)；STOT SE 3 (15.6%)

Sicherheitsdaten

wgk: 3
hs_code: 2933299090
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 22-24/25
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

VerwendenReactant involved in:Alkylation leading to alkyl derivatives with antibacterial activityIodination of N-tritylimidazolePhotochemical intramolecular aromatic substitutionsSynthesis of cyclopentapyrazines using thermolysis