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Methyl 3-chlorobenzo[b]thiophene-2-carboxylate - 97%, high purity , CAS No.21211-07-4

COA

Grade & Purity:

≥97%

Cas Number: 21211-07-4
Molecular Weight: 226.68
MDL number: MFCD00052503
PubChem CID: 607073
PubChem SID: 488190686

In stock

Item Number

M137105

Grouped product items
SKU	Size	Availability	Price
M137105-1g	1g	5	$36.90
M137105-5g	5g	5	$126.90
M137105-25g	25g	2	$440.90

Discover Methyl 3-chlorobenzo[b]thiophene-2-carboxylate by Aladdin Scientific in 97% for only $36.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	DTXSID90345790 \| FT-0628550 \| STK422120 \| SY062106 \| Benzo[b]thiophene-2-carboxylic acid,3-chloro-,methylester \| E83867 \| MFCD00052503 \| Z18785097 \| EN300-15467 \| SCHEMBL4386528 \| SR-01000643400-1 \| BRD-K00030331-001-01-0 \| Methyl 3-chloro-1-benzothiophen
Specifications & Purity	≥97%
Shipped In	Normal

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 Benzenoids Aryl chlorides Vinylogous halides Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1-benzothiophene - Thiophene carboxylic acid or derivatives - Aryl chloride - Aryl halide - Benzenoid - Thiophene - Methyl ester - Heteroaromatic compound - Vinylogous halide - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organochloride - 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	488190686
IUPAC Name	methyl 3-chloro-1-benzothiophene-2-carboxylate
INCHI	InChI=1S/C10H7ClO2S/c1-13-10(12)9-8(11)6-4-2-3-5-7(6)14-9/h2-5H,1H3
InChIKey	VAPMGETZRJYSLW-UHFFFAOYSA-N
Smiles	COC(=O)C1=C(C2=CC=CC=C2S1)Cl
Isomeric SMILES	COC(=O)C1=C(C2=CC=CC=C2S1)Cl
WGK Germany	3
Molecular Weight	226.68
Reaxy-Rn	1312686
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1312686&ln=

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

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Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
C2314257	Certificate of Analysis	Mar 23, 2023	M137105
C2315609	Certificate of Analysis	Mar 23, 2023	M137105
C2314259	Certificate of Analysis	Mar 23, 2023	M137105
C2315588	Certificate of Analysis	Mar 23, 2023	M137105
C2315603	Certificate of Analysis	Mar 23, 2023	M137105
C2315610	Certificate of Analysis	Mar 23, 2023	M137105

Chemical and Physical Properties

Melt Point(°C)	80-84 °C
Molecular Weight	226.680 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	225.986 Da
Monoisotopic Mass	225.986 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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