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About This Item
Empirical Formula (Hill Notation):
C4H4ClN3O2
CAS Number:
Molecular Weight:
161.55
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
225-521-2
MDL number:
Assay:
98%
Quality Segment
assay
98%
mp
148-150 °C (lit.)
functional group
chloro, nitro
SMILES string
Cn1cnc(c1Cl)[N+]([O-])=O
InChI
1S/C4H4ClN3O2/c1-7-2-6-4(3(7)5)8(9)10/h2H,1H3
InChI key
OSJUNMSWBBOTQU-UHFFFAOYSA-N
Application
5-Chloro-1-methyl-4-nitroimidazole (CMNI) is suitable for use in the rapid mix experiments to investigate the mechanism of anomalous radiosensitization of mammalian cells by CMNI. It may be used in the synthesis of 5-aryl-1-methyl-4-nitroimidazoles, via Suzuki coupling with arylboronic acids, catalyzed by dichlorobis-(triphenylphosphine)palladium(II), K2CO3 and tetrabutylammonium bromide.
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Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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