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2-Bromo-1-(3-Ethyl-5,5,8,8-Tetramethyl-5,6,7,8-Tetrahydro-2-Naphthalenyl)Ethanone - 95%, high purity , CAS No.175136-57-9

COA

Grade & Purity:

≥95%

Cas Number: 175136-57-9
Molecular Weight: 337.29
MDL number: MFCD00052015
PubChem CID: 254968

In stock

Item Number

B300016

Grouped product items
SKU	Size	Availability	Price	Qty
B300016-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$550.90
B300016-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,992.90

Basic Description

Synonyms	175136-57-9 \| 2-bromo-1-(3-ethyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one \| 2-bromo-1-(3-ethyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone \| 7-Bromoacetyl-6-ethyl-1,2,3,4-tetrahydro-1,1,4,4-tetramethylnaphthalene \| 2-br
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Tetralins

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Tetralins
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Tetralins
Alternative Parents	Aryl alkyl ketones Alpha-haloketones Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Tetralin - Aryl alkyl ketone - Aryl ketone - Alpha-haloketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
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	2-bromo-1-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone
INCHI	InChI=1S/C18H25BrO/c1-6-12-9-14-15(10-13(12)16(20)11-19)18(4,5)8-7-17(14,2)3/h9-10H,6-8,11H2,1-5H3
InChIKey	BBHJYKJAWKZSHS-UHFFFAOYSA-N
Smiles	CCC1=CC2=C(C=C1C(=O)CBr)C(CCC2(C)C)(C)C
Isomeric SMILES	CCC1=CC2=C(C=C1C(=O)CBr)C(CCC2(C)C)(C)C
Molecular Weight	337.29
Reaxy-Rn	13745479
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13745479&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	337.300 g/mol
XLogP3	6.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	336.109 Da
Monoisotopic Mass	336.109 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	372.000
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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