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5-bromo-2-methyl-benzothiophene - 97%, high purity , CAS No.7312-07-4

COA

Grade & Purity:

≥97%

Cas Number: 7312-07-4
Molecular Weight: 227.12
EC Number: 857-259-5
PubChem CID: 13663035

In stock

Item Number

B634448

Grouped product items
SKU	Size	Availability	Price
B634448-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$199.90
B634448-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$599.90
B634448-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$984.90

Basic Description

Synonyms	DTXSID50546105 \| F89350 \| SCHEMBL1744396 \| MFCD16657763 \| Z1269233897 \| SY149647 \| benzo[b]thiophene,5-bromo-2-methyl- \| 5-bromo-2-methyl-1-benzothiophene \| AKOS005216606 \| 5-bromo-2-methylbenzothiophene \| 5-bromo-2-methyl-benzothiophene \| EN300-123144 \|
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	2,3,5-trisubstituted thiophenes Benzenoids Aryl bromides Heteroaromatic compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1-benzothiophene - 2,3,5-trisubstituted thiophene - Benzenoid - Aryl halide - Aryl bromide - Heteroaromatic compound - Thiophene - Hydrocarbon derivative - Organobromide - Organohalogen 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

IUPAC Name	5-bromo-2-methyl-1-benzothiophene
INCHI	InChI=1S/C9H7BrS/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5H,1H3
InChIKey	UTFSSVWJVFAACX-UHFFFAOYSA-N
Smiles	CC1=CC2=C(S1)C=CC(=C2)Br
Isomeric SMILES	CC1=CC2=C(S1)C=CC(=C2)Br
Alternate CAS	7312-07-4
PubChem CID	13663035
Molecular Weight	227.12

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	227.120 g/mol
XLogP3	4.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	225.945 Da
Monoisotopic Mass	225.945 Da
Topological Polar Surface Area	28.200 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	148.000
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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