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Methyl 6-bromobenzo[b]thiophene-2-carboxylate - 98%, high purity , CAS No.360576-01-8

COA

Grade & Purity:

≥98%

Cas Number: 360576-01-8
Molecular Weight: 271.14
PubChem CID: 22474078
PubChem SID: 488200154

In stock

Item Number

M349386

Grouped product items
SKU	Size	Availability	Price
M349386-250mg	250mg	2	$71.90
M349386-1g	1g	2	$221.90
M349386-5g	5g	2	$553.90
M349386-25g	25g	2	$2,492.90

Discover Methyl 6-bromobenzo[b]thiophene-2-carboxylate by Aladdin Scientific in 98% for only $71.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	CS1251 \| SFDVDNLBYGHFNF-UHFFFAOYSA-N \| DTXSID50625904 \| 6-bromobenzothiophene-2-carboxylic acid methyl ester \| 6-bromo-benzo[b]thiophene-2-carboxylic acid methyl ester, AldrichCPR \| SY104145 \| AMY5738 \| methyl6-bromobenzo[b]thiophene-2-carboxylate \| FT-06
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	Methyl 6-bromobenzo[b]thiophene-2-carboxylate is used in the synthesis of benzothiophene derivatives as histone deacetylase inhibitors.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzothiophenes
    - Subclass 1-benzothiophenes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzothiophenes
Subclass	1-benzothiophenes
Intermediate Tree Nodes	Not available
Direct Parent	1-benzothiophenes
Alternative Parents	Thiophene carboxylic acids and derivatives 2,3,5-trisubstituted thiophenes Benzenoids Aryl bromides Methyl esters Heteroaromatic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1-benzothiophene - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Aryl bromide - Aryl halide - Benzenoid - Thiophene - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system.
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	488200154
IUPAC Name	methyl 6-bromo-1-benzothiophene-2-carboxylate
INCHI	InChI=1S/C10H7BrO2S/c1-13-10(12)9-4-6-2-3-7(11)5-8(6)14-9/h2-5H,1H3
InChIKey	SFDVDNLBYGHFNF-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC2=C(S1)C=C(C=C2)Br
Isomeric SMILES	COC(=O)C1=CC2=C(S1)C=C(C=C2)Br
Molecular Weight	271.14
Reaxy-Rn	11218753
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11218753&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
C2524027	Certificate of Analysis	Oct 29, 2022	M349386
C2304756	Certificate of Analysis	Oct 29, 2022	M349386
C2304722	Certificate of Analysis	Oct 29, 2022	M349386
C2304539	Certificate of Analysis	Oct 29, 2022	M349386
C2304547	Certificate of Analysis	Oct 29, 2022	M349386
C2304730	Certificate of Analysis	Oct 29, 2022	M349386

Chemical and Physical Properties

Melt Point(°C)	117-119°
Molecular Weight	271.130 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	269.935 Da
Monoisotopic Mass	269.935 Da
Topological Polar Surface Area	54.500 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	234.000
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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