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5-Bromo-1,3-benzenedithiol - >98.0%(GC), high purity , CAS No.1219501-75-3

COA

Grade & Purity:

≥98%(GC)

Cas Number: 1219501-75-3
Molecular Weight: 221.13
PubChem CID: 44630533

In stock

Item Number

B152761

Grouped product items
SKU	Size	Availability	Price	Qty
B152761-200mg	200mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$88.90
B152761-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$341.90

View related series

Non heterocyclic block (8163) Sulfur containing compounds (986)

Basic Description

Synonyms	5-Bromo-1,3-benzenedithiol \| 1-Bromo-3,5-dimercaptobenzene \| MFCD08276291 \| B2655 \| DTXSID00659956 \| GEO-04125 \| AS-59429 \| 1,3-Benzenedithiol, 5-bromo- \| AKOS015834616 \| SCHEMBL1975035 \| 1219501-75-3 \| T70152 \| 5-bromobenzene-1,3-dithiol
Specifications & Purity	≥98%(GC)
Storage Temp	Store at 2-8°C
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 Benzenoids
  - Class Thiophenols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Thiophenols
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Thiophenols
Alternative Parents	Bromobenzenes Aryl bromides Thiols Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Thiophenol - Halobenzene - Bromobenzene - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Arylthiol - Hydrocarbon derivative - Organosulfur compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as thiophenols. These are compounds containing a thiophenol ring, which a phenol derivative obtained by replacing the oxygen atom from the hydroxyl group (attached to the benzene) by a sulfur 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

IUPAC Name	5-bromobenzene-1,3-dithiol
INCHI	InChI=1S/C6H5BrS2/c7-4-1-5(8)3-6(9)2-4/h1-3,8-9H
InChIKey	AHHCKAJHIBGSHJ-UHFFFAOYSA-N
Smiles	C1=C(C=C(C=C1S)Br)S
Isomeric SMILES	C1=C(C=C(C=C1S)Br)S
Molecular Weight	221.13
Reaxy-Rn	20213019
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20213019&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	Soluble in Methanol
Sensitivity	Heat Sensitive
Melt Point(°C)	78 °C
Molecular Weight	221.100 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	219.902 Da
Monoisotopic Mass	219.902 Da
Topological Polar Surface Area	2.000 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	87.100
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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