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3-Bromo-7h-Benz(de)Anthracen-7-one - 85%, high purity , CAS No.81-96-9

COA

Grade & Purity:

≥85%

Cas Number: 81-96-9
Molecular Weight: 309.16
MDL number: MFCD00021094
PubChem CID: 6696

In stock

Item Number

B304718

Grouped product items
SKU	Size	Availability	Price	Qty
B304718-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$103.90
B304718-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$344.90

Basic Description

Synonyms	3-Bromobenzanthrone \| 81-96-9 \| 3-Brombenzanthrone \| 3-Bromo-7H-benzo[de]anthracen-7-one \| Benzanthrone, 3-bromo- \| 3-bromobenzo[b]phenalen-7-one \| 7-Bromomesobenzanthrone \| 3-Bromo-7H-benz[de]anthracene-7-one \| 7H-Benz[de]anthracen-7-one, 3-bromo- \| 3-Bromo Benzanthrone \| 3
Specifications & Purity	≥85%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenanthrenes and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenanthrenes and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenanthrenes and derivatives
Alternative Parents	Anthracenes Aryl ketones Aryl bromides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Phenanthrene - Anthracene - Aryl ketone - Aryl halide - Aryl bromide - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
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

Names and Identifiers

IUPAC Name	3-bromobenzo[b]phenalen-7-one
INCHI	InChI=1S/C17H9BrO/c18-15-9-8-11-10-4-1-2-5-12(10)17(19)14-7-3-6-13(15)16(11)14/h1-9H
InChIKey	WVECFEIAZAKUNF-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C3=C4C(=C(C=C3)Br)C=CC=C4C2=O
Isomeric SMILES	C1=CC=C2C(=C1)C3=C4C(=C(C=C3)Br)C=CC=C4C2=O
Molecular Weight	309.16
Reaxy-Rn	1975512
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1975512&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	164-168°C
Molecular Weight	309.160 g/mol
XLogP3	5.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	307.984 Da
Monoisotopic Mass	307.984 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	379.000
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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