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1-(1-Benzothiophen-5-yl)-2-bromo-1-ethanone - 95%, high purity , CAS No.1131-87-9

COA

Grade & Purity:

≥95%

Cas Number: 1131-87-9
Molecular Weight: 255.1
PubChem CID: 7060546

In stock

Item Number

B179492

Grouped product items
SKU	Size	Availability	Price	Qty
B179492-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$111.90
B179492-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$288.90

Discover 1-(1-Benzothiophen-5-yl)-2-bromo-1-ethanone by Aladdin Scientific in 95% for only $111.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1131-87-9 \| 1-(1-Benzothiophen-5-yl)-2-bromo-1-ethanone \| 1-(1-benzothiophen-5-yl)-2-bromoethanone \| 5-(Bromoacetyl)benzo[b]thiophene \| 1-(Benzo[b]thiophen-5-yl)-2-bromoethanone \| 1-(Benzo[b]thiophen-5-yl)-2-bromoethan-1-one \| 5-bromoacetylbenzo[b]thiophene \| 1-benzo[b
Specifications & Purity	≥95%
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 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	Aryl alkyl ketones Benzenoids Thiophenes Heteroaromatic compounds Alpha-haloketones Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1-benzothiophene - Aryl alkyl ketone - Aryl ketone - Benzenoid - Alpha-haloketone - Thiophene - Heteroaromatic compound - Ketone - Alkyl bromide - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Alkyl halide - 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

IUPAC Name	1-(1-benzothiophen-5-yl)-2-bromoethanone
INCHI	InChI=1S/C10H7BrOS/c11-6-9(12)7-1-2-10-8(5-7)3-4-13-10/h1-5H,6H2
InChIKey	NTQPGUCRHJHYIA-UHFFFAOYSA-N
Smiles	C1=CC2=C(C=CS2)C=C1C(=O)CBr
Isomeric SMILES	C1=CC2=C(C=CS2)C=C1C(=O)CBr
Molecular Weight	255.1
Reaxy-Rn	13464206
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13464206&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	255.130 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	253.94 Da
Monoisotopic Mass	253.94 Da
Topological Polar Surface Area	45.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	207.000
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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