Grundinformationen
- Standard-SMILES
Clc1nc[nH]c1Cl- InChIKey
QAJJXHRQPLATMK-UHFFFAOYSA-N- Summenformel
- C3H2Cl2N2
- Durchschnittliche Molmasse
- 136,96 g/mol
- Monoisotopische Masse
- 135,95950342
Namen und Bezeichner
- Bevorzugter Name
- 4,5-Dichloroimidazole
- IUPAC
- 4,5-dichloro-1H-imidazole
- Englischer Name
- 4,5-Dichloroimidazole
- Summenformel
- C3H2Cl2N2
- Molmasse
- 136.97
Namen und Synonyme
4,5-Dichloroimidazole15965-30-7DTXSID30166704NSC 145392RefChem:507688DTXCID0089195628-571-74,5-dichloro-1H-imidazole1H-Imidazole, 4,5-dichloro-MFCD00005195C3H2Cl2N23,4-dichloro-2H-pyrazole
Weitere Namen anzeigen
AURORA KA-7362JACS-15965-30-7Dichloroimidazole4,5-Dichloroimidazole>Azathioprine Impurity 134,5-DICHLOROIMIDAZOLE 97+%4,5-Dichloroimidazole >=98%
4,5-Dichloroimidazole, >=98%GEO-02647STK036844AKOS005255242PS-10955D73871EN300-102203F0001-0570
Datenbank-Bezeichner
- CAS
15965-30-7- PubChem CID
- 140018
- DTXSID
DTXSID30166704- EC Number
- 628-571-7
- Nikkaji
- J256.524B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 28,7 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 68
Physikochemische Eigenschaften
- Schmelzpunkt
- 183 · 183-185 °C (lit.)
- Siedepunkt
- 334.1 · 334.1±22.0 °C(Predicted)
- Dichte
- 1.613 · 1.613±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- Aggregatzustand
- powder to crystal
- pka
- 8.99 · 8.99±0.10(Predicted)
- Farbe
- White to Light yellow
- Wasserlöslichkeit
- Insoluble in water.
- BRN
- 606155 · 606155
- InChI
- InChI=1S/C3H2Cl2N2/c4-2-3(5)7-1-6-2/h1H,(H,6,7)
- InChIKey
- QAJJXHRQPLATMK-UHFFFAOYSA-N
- SMILES
- C1NC(Cl)=C(Cl)N=1
- CAS Datenbank
- 15965 · 15965-30-7(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2933299090
- risk_code
- 36/37/38-22
- hazard_code
- Xi,Xn
- safety_code
- 26-37/39-36/37/39-22
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden4,5-Dichloroimidazole has been used in the synthesis of:phosphinite complexes1-hexyl-3-methyl-4,5-dichloroimidazolium iodide, precursor required for the preparation of silver-carbene complex-loaded into L-tyrosine polyphosphate nanoparticles
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