2-Nitrophenanthrene-9,10-dione , CAS No.604-95-5

CAS: 604-95-5 Cat. No.: N667998 Molecular Weight: 253.21 EC Number: 667-763-5 PubChem CID: 94860
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Synonyms
2-nitrophenanthrene-9,10-dione | 2-Nitrophenanthraquinone | 2-Nitro-9,10-phenanthrenedione | NSC-23180 | 9,10-Phenanthrenedione, 2-nitro- | 2-nitro-9,10-dihydrophenanthrene-9,10-dione | NSC23180 | PD081126 | 9, 2-nitro- | C14H7NO4 | NSC5425 | 2-nitro-9,10
Storage
Room temperature
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1mg
N667998-1mg
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5mg
N667998-5mg
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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-nitrophenanthrene-9, 10-dione | 2-Nitrophenanthraquinone | 2-Nitro-9, 10-phenanthrenedione | NSC-23180 | 9, 10-Phenanthrenedione, 2-nitro- | 2-nitro-9, 10-dihydrophenanthrene-9, 10-dione | NSC23180 | PD081126 | 9, 2-nitro- | C14H7NO4 | NSC5425 | 2-nitro-9, 10
Storage
Room temperature
Product Properties
ALogP2.3
Names and Identifiers
Canonical SmilesC1=CC=C2C(=C1)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=O
IUPAC Name2-nitrophenanthrene-9,10-dione
InChIKeyKNAXWOBOCVVMST-UHFFFAOYSA-N
INCHI1S/C14H7NO4/c16-13-11-4-2-1-3-9(11)10-6-5-8(15(18)19)7-12(10)14(13)17/h1-7H
Isomeric SMILES C1=CC=C2C(=C1)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=O
PubChem CID 94860
Molecular Weight 253.21

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
SuperclassBenzenoids
ClassPhenanthrenes and derivatives
SubclassPhenanthraquinones
Intermediate Tree Nodes Not available
Direct ParentPhenanthraquinones
Alternative Parents Hydrophenanthrenes  Nitronaphthalenes  O-quinones  Nitroaromatic compounds  Aryl ketones  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents Phenanthraquinone - Hydrophenanthrene - 2-nitronaphthalene - Naphthalene - Nitroaromatic compound - O-quinone - Quinone - Aryl ketone - Ketone - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homopolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenanthraquinones. These are phenanthrene derivatives containing two ketone groups at position C9 and C10, respectively.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CES1 Tchem Liver carboxylesterase 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
S100A4 Tchem Protein S100-A4 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ACHE Tclin Acetylcholinesterase (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCHE Tclin Butyrylcholinesterase (7174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CES1 Tchem Acyl coenzyme A:cholesterol acyltransferase (1029 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTPRC Tchem Leukocyte common antigen (2317 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-231 (73002 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
S100A4 Tchem Protein S100-A4 (87 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
lipdh Dihydrolipoyl dehydrogenase (4 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
dlaT Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (54 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
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 Weight253.210 g/mol
XLogP32.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass253.038 Da
Monoisotopic Mass253.038 Da
Topological Polar Surface Area80.000 Ų
Heavy Atom Count19
Formal Charge0
Complexity428.000
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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