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2-Bromonaphthalene-1,4,5,8-tetracarboxylic 1,8:4,5-Dianhydride - 96%, high purity , CAS No.846-20-8

COA

Grade & Purity:

≥96%

Cas Number: 846-20-8
Molecular Weight: 347.08
PubChem CID: 11974660

In stock

Item Number

B405339

Grouped product items
SKU	Size	Availability	Price
B405339-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$42.90
B405339-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$89.90
B405339-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$239.90
B405339-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$874.90

View related series

Naphthalenes (9) Small molecule semiconductor block (414)

Basic Description

Synonyms	B5756 \| MFCD00632359 \| 2-Bromonaphthalene-1,4,5,8-tetracarboxylic 1,8:4,5-Dianhydride \| 2-bromo-6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone \| SCHEMBL128103 \| 4-Bromoisochromeno[6,5,4-def]isochromene-1,3,6
Specifications & Purity	≥96%
Storage Temp	Store at 2-8°C,Protected from light,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Isocoumarins and derivatives

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Isocoumarins and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Isocoumarins and derivatives
Alternative Parents	Naphthalenes 2-benzopyrans Pyranones and derivatives Aryl bromides Vinylogous halides Heteroaromatic compounds Lactones Oxacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isocoumarin - Benzopyran - Naphthalene - 2-benzopyran - Pyranone - Aryl bromide - Aryl halide - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous halide - Lactone - Organoheterocyclic compound - Oxacycle - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as isocoumarins and derivatives. These are polycyclic compounds containing an isochromane which bears a ketone at the carbon C1.
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-bromo-6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone
INCHI	InChI=1S/C14H3BrO6/c15-7-3-6-8-4(11(16)20-13(6)18)1-2-5-9(8)10(7)14(19)21-12(5)17/h1-3H
InChIKey	MLQKQYZNRQBIKB-UHFFFAOYSA-N
Smiles	C1=CC2=C3C4=C1C(=O)OC(=O)C4=CC(=C3C(=O)OC2=O)Br
Isomeric SMILES	C1=CC2=C3C4=C1C(=O)OC(=O)C4=CC(=C3C(=O)OC2=O)Br
Molecular Weight	347.08
Reaxy-Rn	5099165
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5099165&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Light Sensitive,Moisture Sensitive
Molecular Weight	347.070 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	345.911 Da
Monoisotopic Mass	345.911 Da
Topological Polar Surface Area	86.700 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	572.000
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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