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Nitrefazole

CAT: 0572-TRC-N490125-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-N490125-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
21721-92-6
Synonyms
2-Methyl-4-nitro-1-(p-nitrophenyl)-Imidazole; 1-(4-Nitrophenyl)-2-methyl-4-nitroimidazole; 2-Methyl-4-nitro-1-(4-nitrophenyl)-1H-imidazole; Altimol; EMD 15700; Nitrefazole
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
Cc1nc(cn1c2ccc(cc2)[N+](=O)[O-])[N+](=O)[O-]
Molecular Formula
C10H8N4O4
Molecular Weight
248.19
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Methyl-4-nitro-1-(4-nitrophenyl)-1H-imidazole

Nitrefazole is a member of imidazoles.

CAS Number21721-92-6
PubChem CID71900
IUPAC Name2-methyl-4-nitro-1-(4-nitrophenyl)imidazole
Molecular FormulaC10H8N4O4
Molecular Weight248.19
XLogP2.1
Topological Polar Surface Area109
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity332
SMILES
CC1=NC(=CN1C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C10H8N4O4/c1-7-11-10(14(17)18)6-12(7)8-2-4-9(5-3-8)13(15)16/h2-6H,1H3
InChIKey
NMTBSNPBIGRZBL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methyl-4-nitro-1-(4-nitrophenyl)-1H-imidazole
CAS: 21721-92-6
CID: 71900
Formula: C10H8N4O4
MW: 248.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.19
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass248.05455475
Monoisotopic Mass248.05455475
Topological Polar Surface Area109 Ų
Heavy Atom Count18
Formal Charge0
Complexity332
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA7147-50Nitrefazole
HY-107030RNitrefazole (Standard)

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