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2-Bromophenanthrene-9,10-dione , CAS No.53622-33-6

COA

Cas Number: 53622-33-6
Molecular Weight: 287.11
PubChem CID: 12678912

In stock

Item Number

B669183

Grouped product items
SKU	Size	Availability	Price	Qty
B669183-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90
B669183-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,999.90

Basic Description

Synonyms	2-Bromophenanthrene-9,10-dione \| 2-BroMo-9,10-phenanthrenequinone \| 2-Bromo-9,10-phenanthrenedione \| 9,10-Phenanthrenedione, 2-bromo- \| DTXSID70506620 \| 2-Bromo-phenanthrene-9,10-dione \| BDBM50099772 \| 2-bromo-9,10-dihydrophenanthrene-9,10-dione \| EN300-6

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenanthrenes and derivatives
    - Subclass Phenanthraquinones

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenanthrenes and derivatives
Subclass	Phenanthraquinones
Intermediate Tree Nodes	Not available
Direct Parent	Phenanthraquinones
Alternative Parents	Hydrophenanthrenes Naphthalenes O-quinones Aryl ketones Aryl bromides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Phenanthraquinone - Hydrophenanthrene - Naphthalene - Aryl ketone - Quinone - O-quinone - Aryl bromide - Aryl halide - Ketone - Organobromide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homopolycyclic compound
Description	This 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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

PTPRC Tchem Receptor-type tyrosine-protein phosphatase C (1 Activities)

Discover Target: PTPRC

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PTPRC Tchem Leukocyte common antigen (2317 Activities)

Discover Target: PTPRC

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	2-bromophenanthrene-9,10-dione
INCHI	InChI=1S/C14H7BrO2/c15-8-5-6-10-9-3-1-2-4-11(9)13(16)14(17)12(10)7-8/h1-7H
InChIKey	DSHTXZUCUCBRAF-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C3=C(C=C(C=C3)Br)C(=O)C2=O
Isomeric SMILES	C1=CC=C2C(=C1)C3=C(C=C(C=C3)Br)C(=O)C2=O
PubChem CID	12678912
Molecular Weight	287.11

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	287.110 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	285.963 Da
Monoisotopic Mass	285.963 Da
Topological Polar Surface Area	34.100 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	352.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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