5-Chloro-1-methyl-4-nitroimidazole - CAS 4897-25-0

Catalog:	BB026621
Product Name:	5-Chloro-1-methyl-4-nitroimidazole
CAS:	4897-25-0
Synonyms:	5-chloro-1-methyl-4-nitroimidazole; 5-chloro-1-methyl-4-nitroimidazole

Technical Data

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Computed Properties

IUPAC Name:	5-chloro-1-methyl-4-nitroimidazole
Description:	5-Chloro-1-methyl-4-nitroimidazole (CAS# 4897-25-0) is a compound useful in organic synthesis.
Molecular Weight:	161.55
Molecular Formula:	C4H4ClN3O2
Canonical SMILES:	CN1C=NC(=C1Cl)[N+](=O)[O-]
InChI:	InChI=1S/C4H4ClN3O2/c1-7-2-6-4(3(7)5)8(9)10/h2H,1H3
InChI Key:	OSJUNMSWBBOTQU-UHFFFAOYSA-N
Boiling Point:	362.3 °C at 760 mmHg
Density:	1.65 g/cm³
Solubility:	>24.2 [ug/mL] (The mean of the results at pH 7.4)
MDL:	MFCD00233664
LogP:	1.50490

Publication Number	Title	Priority Date
WO-2021172204-A1	Method for producing capped rna	20200228
WO-2021127133-A1	N-(3-amino-3-oxopropyl)-2-[(1-methyl-4-nitro-1h-imidazol-5-yl)thio]benzamide and its use for treating hiv infection	20191217
CN-110817843-A	Eutectic solvent, application thereof, carbon quantum dot and preparation method thereof	20191127
CN-110817843-B	Eutectic solvent, application thereof, carbon quantum dot and preparation method thereof	20191127
CN-110550616-A	Energy-containing eutectic solvent, application thereof, metal-doped carbon quantum dot prepared from energy-containing eutectic solvent and preparation method of metal-doped carbon quantum dot	20190826

PMID	Publication Date	Title	Journal
22826074	20130101	Pharmacotherapy for sarcoidosis: an example of an off-label procedure	Advances in experimental medicine and biology
20670449	20100729	Dimensional and hierarchical models of depression using the Beck Depression Inventory-II in an Arab college student sample	BMC psychiatry
19701122	20090727	New synthesis and antiparasitic activity of model 5-aryl-1-methyl-4-nitroimidazoles	Molecules (Basel, Switzerland)

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Related Functional Groups

Imidazoles

[40953-34-2]
2-Amino-4,5-imidazoledicarbonitrile
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[97403-83-3]
3-Allyl-1-methyl-2-thioxoimidazolidin-4-one
[74840-99-6]
ethyl 4,5-dibromo-1H-imidazole-2-carboxylate
[1692391-54-0]
Ethyl 1-propyl-1H-imidazole-2-carboxylate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.9992041
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	160.9992041
Rotatable Bond Count:	0
Topological Polar Surface Area:	63.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3