5-Methyl-4-nitroimidazole - CAS 14003-66-8

Catalog:	BB009025
Product Name:	5-Methyl-4-nitroimidazole
CAS:	14003-66-8
Synonyms:	4-methyl-5-nitro-1H-imidazole; 4-methyl-5-nitro-1H-imidazole

Technical Data

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Computed Properties

IUPAC Name:	4-methyl-5-nitro-1H-imidazole
Description:	5-Methyl-4-nitroimidazole can cause mutations with Klebsiella pneumonia and Salmonella typhimurium.
Molecular Weight:	127.10
Molecular Formula:	C4H5N3O2
Canonical SMILES:	CC1=C(NC=N1)[N+](=O)[O-]
InChI:	InChI=1S/C4H5N3O2/c1-3-4(7(8)9)6-2-5-3/h2H,1H3,(H,5,6)
InChI Key:	WSYOWIMKNNMEMZ-UHFFFAOYSA-N
Boiling Point:	296.4 °C at 760 mmHg
Density:	1.149 g/cm³
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00091864
LogP:	1.14950

Publication Number	Title	Priority Date
WO-2021146033-A1	Dry film	20200116
US-2021104398-A1	Planarizing Process and Composition	20191004
WO-2021067547-A1	Planarizing process and composition	20191004
US-2020392405-A1	Etching compositions	20190613
WO-2020251800-A1	Etching compositions	20190613

PMID	Publication Date	Title	Journal
16473374	20060620	Inhibition of inducible nitric oxide synthesis by azathioprine in a macrophage cell line	Life sciences

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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:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.038176411
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	127.038176411
Rotatable Bond Count:	0
Topological Polar Surface Area:	74.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2