5-Chloro-1-methyl-1H-imidazole
-
5-Chloro-1-methyl-1H-imidazole
structure -
-
CAS No:
872-49-1
-
Formula:
C4H5ClN2
-
Chemical Name:
5-Chloro-1-methyl-1H-imidazole
-
Synonyms:
1H-Imidazole,5-chloro-1-methyl-;Imidazole,5-chloro-1-methyl-;5-Chloro-1-methyl-1H-imidazole;5-Chloro-1-methylimidazole;1-Methyl-5-chloroimidazole;126993-04-2
-
CAS No:
Characteristics
17.8
1
White crystalline powder
1.25 g/mL at 25 °C(lit.)
82-85°C(11 mmHg)
250-252 °C
205 °F
n20/D 1.511(lit.)
H2O: insoluble
Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Information
NONH for all modes of transport
3
R36/37/38
S26-S37/39
Xi:Irritant;
Stable at room temperature in closed containers under normal storage and handling conditions.
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-Chloro-1-methyl-1H-imidazole Use and Manufacturing
Phosphorus pentachloride (383.2 g, 1.8 mol) was added to methyl oxamide (116.1 g, 1.0 mol) and heated. A melt was created at 60° C. accompanied by the formation of foam. The mixture was stirred for 2 h between 85° C.-95° C., then the resulting POCl
A useful synthetic intermediate 5-Chloro-1-methylimidazole is a labelled useful synthetic intermediate.
Computed Properties
Molecular Weight:116.55
XLogP3:1
Hydrogen Bond Acceptor Count:1
Exact Mass:116.0141259
Monoisotopic Mass:116.0141259
Topological Polar Surface Area:17.8
Heavy Atom Count:7
Complexity:66.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
