2-nitro-6(5H)-phenanthridinone , CAS No.78256-30-1

CAS: 78256-30-1 Cat. No.: N668091 Molecular Weight: 240.21 EC Number: 685-074-8 PubChem CID: 157180
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Synonyms
2-nitro-6(5H)-phenanthridinone | 2-Nitro-5H-phenanthridin-6-one | 6(5H)-Phenanthridinone, 2-nitro- | 2-NITRO-5,6-DIHYDROPHENANTHRIDIN-6-ONE | 2-Nitrophenanthridin-6(5H)-one | NSC113304 | DTXSID60228920 | KLNFQJDLPUPRJZ-UHFFFAOYSA-N | BDBM50101127 | MFCD00
Storage
Room temperature
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1mg
N668091-1mg
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$999.90
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5mg
N668091-5mg
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$1,999.90

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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
2-nitro-6(5H)-phenanthridinone | 2-Nitro-5H-phenanthridin-6-one | 6(5H)-Phenanthridinone, 2-nitro- | 2-NITRO-5, 6-DIHYDROPHENANTHRIDIN-6-ONE | 2-Nitrophenanthridin-6(5H)-one | NSC113304 | DTXSID60228920 | KLNFQJDLPUPRJZ-UHFFFAOYSA-N | BDBM50101127 | MFCD00
Storage
Room temperature
Product Properties
ALogP2.3
Names and Identifiers
Canonical SmilesC1=CC=C2C(=C1)C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O
IUPAC Name2-nitro-5H-phenanthridin-6-one
InChIKeyKLNFQJDLPUPRJZ-UHFFFAOYSA-N
INCHI1S/C13H8N2O3/c16-13-10-4-2-1-3-9(10)11-7-8(15(17)18)5-6-12(11)14-13/h1-7H,(H,14,16)
Isomeric SMILES C1=CC=C2C(=C1)C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O
PubChem CID 157180
Molecular Weight 240.21

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassQuinolines and derivatives
SubclassBenzoquinolines
Intermediate Tree Nodes Not available
Direct ParentPhenanthridines and derivatives
Alternative Parents Nitroquinolines and derivatives  Hydroquinolones  Isoquinolones and derivatives  Hydroquinolines  Nitroaromatic compounds  Pyridinones  Benzenoids  Heteroaromatic compounds  Lactams  Organic oxoazanium compounds  Propargyl-type 1,3-dipolar organic compounds  Azacyclic compounds  Organonitrogen compounds  Organic zwitterions  Organic oxides  Organopnictogen compounds  Hydrocarbon derivatives  Organooxygen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phenanthridine - Nitroquinoline - Dihydroquinolone - Isoquinolone - Dihydroquinoline - Isoquinoline - Nitroaromatic compound - Pyridinone - Pyridine - Benzenoid - Heteroaromatic compound - Lactam - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Azacycle - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic zwitterion - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenanthridines and derivatives. These are polycyclic compounds containing a phenanthridine moiety, which is a tricyclic system with two benzene rings joined by a pyridine forming a non-linear skeleton. Hydrogenated derivatives are also included.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
PARP1 Tclin Poly [ADP-ribose] polymerase 1 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight240.210 g/mol
XLogP32.300
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass240.053 Da
Monoisotopic Mass240.053 Da
Topological Polar Surface Area74.900 Ų
Heavy Atom Count18
Formal Charge0
Complexity366.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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