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2，7-dibromo-9H-xanthen-9-one - ≥98%, high purity , CAS No.40102-85-0

COA

Grade & Purity:

≥98%

Cas Number: 40102-85-0
Molecular Weight: 353.99
PubChem CID: 363840

In stock

Item Number

D770890

Grouped product items
SKU	Size	Availability	Price
D770890-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$46.90
D770890-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$190.90
D770890-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$372.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzopyrans
    - Subclass 1-benzopyrans
      - Level5 Dibenzopyrans
        Level6 Xanthenes
        Level7 Xanthones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzopyrans
Subclass	1-benzopyrans
Intermediate Tree Nodes	Dibenzopyrans - Xanthenes
Direct Parent	Xanthones
Alternative Parents	Chromones Pyranones and derivatives Benzenoids Aryl bromides Heteroaromatic compounds Oxacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Xanthone - Chromone - Pyranone - Aryl bromide - Aryl halide - Pyran - Benzenoid - Heteroaromatic compound - Oxacycle - Organooxygen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring.
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	2,7-dibromoxanthen-9-one
INCHI	InChI=1S/C13H6Br2O2/c14-7-1-3-11-9(5-7)13(16)10-6-8(15)2-4-12(10)17-11/h1-6H
InChIKey	AOOPYZBRENDMPN-UHFFFAOYSA-N
Smiles	C1=CC2=C(C=C1Br)C(=O)C3=C(O2)C=CC(=C3)Br
Isomeric SMILES	C1=CC2=C(C=C1Br)C(=O)C3=C(O2)C=CC(=C3)Br
PubChem CID	363840
Molecular Weight	353.99

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	353.990 g/mol
XLogP3	5.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	353.871 Da
Monoisotopic Mass	351.873 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	293.000
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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