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Methyl 3-chloro-6-fluorobenzo[b]thiophene-2-carboxylate - 97%, high purity , CAS No.21211-20-1

COA

Grade & Purity:

≥97%

Cas Number: 21211-20-1
Molecular Weight: 244.67
PubChem CID: 762658
PubChem SID: 488191440

In stock

Item Number

M168555

Grouped product items
SKU	Size	Availability	Price
M168555-250mg	250mg	4	$23.90
M168555-1g	1g	3	$72.90
M168555-5g	5g	2	$324.90

Discover Methyl 3-chloro-6-fluorobenzo[b]thiophene-2-carboxylate by Aladdin Scientific in 97% for only $23.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	Methyl3-chloro-6-fluoro-1-benzothiophene-2-carboxylate \| I11537 \| STK443282 \| SCHEMBL693146 \| BBL017325 \| Methyl 3-chloro-6-fluorobenzo[b]thiophene-2-carboxylate, 97% \| MFCD00449849 \| methyl 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate \| 3-Chlor-6-flu
Specifications & Purity	≥97%
Storage Temp	Room temperature
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 fluorides Aryl chlorides Vinylogous halides Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Organooxygen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1-benzothiophene - Thiophene carboxylic acid or derivatives - Aryl chloride - Aryl fluoride - Aryl halide - Benzenoid - Heteroaromatic compound - Vinylogous halide - Methyl ester - Thiophene - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organofluoride - Organochloride - 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 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	488191440
IUPAC Name	methyl 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate
INCHI	InChI=1S/C10H6ClFO2S/c1-14-10(13)9-8(11)6-3-2-5(12)4-7(6)15-9/h2-4H,1H3
InChIKey	GBCJKOYCWCNSAF-UHFFFAOYSA-N
Smiles	COC(=O)C1=C(C2=C(S1)C=C(C=C2)F)Cl
Isomeric SMILES	COC(=O)C1=C(C2=C(S1)C=C(C=C2)F)Cl
WGK Germany	3
Molecular Weight	244.67
Reaxy-Rn	1379009
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1379009&ln=

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
H2213293	Certificate of Analysis	May 15, 2025	M168555
H2215066	Certificate of Analysis	May 15, 2025	M168555
H2215065	Certificate of Analysis	May 15, 2025	M168555

Chemical and Physical Properties

Melt Point(°C)	119-123 °C (lit.)
Molecular Weight	244.670 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	243.976 Da
Monoisotopic Mass	243.976 Da
Topological Polar Surface Area	54.500 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	264.000
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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