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2,7-Dibromo-9H-thioxanthen-9-one - >97.0%(HPLC), high purity , CAS No.40102-86-1

COA

Grade & Purity:

≥97%(HPLC)

Cas Number: 40102-86-1
Molecular Weight: 370.06
PubChem CID: 13979436
PubChem SID: 488198565

In stock

Item Number

D404344

Grouped product items
SKU	Size	Availability	Price
D404344-100mg	100mg	5	$23.90
D404344-250mg	250mg	5	$35.90
D404344-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$85.90
D404344-5g	5g	3	$305.90

Basic Description

Synonyms	2,7-Dibromothioxanthone \| 2,8-Dibromo-10 \| H \| -dibenzo[ \| b \| , \| e \| ]thiopyran-10-one \| 2,7-Dibromothioxanthone \| 2,8-Dibromo-10H-dibenzo[b,e]thiopyran-10-one
Specifications & Purity	≥97%(HPLC)
Product Description	Maximum Absorption Wavelength:650(CH3CN)nm

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Thiochromenes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Thiochromenes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Thiochromenes
Alternative Parents	1-benzothiopyrans Benzenoids Aryl bromides Heteroaromatic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Thiochromene - 1-benzothiopyran - Benzothiopyran - Benzenoid - Aryl halide - Aryl bromide - Heteroaromatic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as thiochromenes. These are organosulfur compounds that are analogues to chromene, with the difference that a sulfur atom replaces the oxygen atom.
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

Pubchem Sid	488198565
IUPAC Name	2,7-dibromothioxanthen-9-one
INCHI	InChI=1S/C13H6Br2OS/c14-7-1-3-11-9(5-7)13(16)10-6-8(15)2-4-12(10)17-11/h1-6H
InChIKey	MIGPGZSVGPGCCR-UHFFFAOYSA-N
Smiles	C1=CC2=C(C=C1Br)C(=O)C3=C(S2)C=CC(=C3)Br
Isomeric SMILES	C1=CC2=C(C=C1Br)C(=O)C3=C(S2)C=CC(=C3)Br
Molecular Weight	370.06
Reaxy-Rn	1316299
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1316299&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
J2221429	Certificate of Analysis	Aug 13, 2022	D404344
J2221199	Certificate of Analysis	Aug 13, 2022	D404344
J2221492	Certificate of Analysis	Aug 13, 2022	D404344
J2214430	Certificate of Analysis	Aug 13, 2022	D404344
C2514406	Certificate of Analysis	Aug 13, 2022	D404344

Chemical and Physical Properties

Melt Point(°C)	268 °C
Molecular Weight	370.060 g/mol
XLogP3	5.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	369.849 Da
Monoisotopic Mass	367.851 Da
Topological Polar Surface Area	42.400 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	295.000
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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