5-Nitro-1,10-phenanthroline

Catalog Number	ACM4199886
CAS	4199-88-6
Structure
Description	5-NP is a potent bactericidal agent, inhibiting Clostridium difficile and exhibiting a wide range of cytotoxicity.
Synonyms	5-nitro-1,10-phenanthroline
IUPAC Name	5-nitro-1,10-phenanthroline
Molecular Weight	225.2 g/mol
Molecular Formula	C12H7N3O2
Canonical SMILES	C1=CC2=CC(=C3C=CC=NC3=C2N=C1)[N+](=O)[O-]
InChI	InChI=1S/C12H7N3O2/c16-15(17)10-7-8-3-1-5-13-11(8)12-9(10)4-2-6-14-12/h1-7H
InChI Key	PDDBTWXLNJNICS-UHFFFAOYSA-N
Boiling Point	444 °C at 760 mmHg
Melting Point	202-204 °C-lit.
Purity	>98% (or refer to the Certificate of Analysis)
Solubility	Soluble in DMSO
Appearance	Solid powder
Shelf Life	>2 years if stored properly
Storage	Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Complexity	305
Covalently-Bonded Unit Count	1
EC Number	224-097-6
Exact Mass	225.053826475
GHS Pictogram	Irritant
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Monoisotopic Mass	225.053826475
Rotatable Bond Count	0
Topological Polar Surface Area	71.6A^2