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Ethyl 2-(3-bromo-2-methylphenyl)acetate - 97%, high purity , CAS No.1261862-72-9

COA

Grade & Purity:

≥97%

Cas Number: 1261862-72-9
Molecular Weight: 257.12
EC Number: ‘871-185-0
PubChem CID: 71433095

In stock

Item Number

E586854

Grouped product items
SKU	Size	Availability	Price	Qty
E586854-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$64.90
E586854-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$138.90

Basic Description

Synonyms	MFCD18395994 \| ethyl2-(3-bromo-2-methylphenyl)acetate \| AMY28081 \| Ethyl 3-bromo-2-methylphenylacetate \| EN300-175912 \| Ethyl (3-Bromo-2-Methylphenyl)acetate \| DS-19372 \| 1261862-72-9 \| AKOS025296050 \| Benzeneacetic acid, 3-bromo-2-methyl-, ethyl ester \|
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Desiccated
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 Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Halobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Bromobenzenes
Alternative Parents	Toluenes Aryl bromides Carboxylic acid esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Toluene - Bromobenzene - Aryl halide - Aryl bromide - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
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	ethyl 2-(3-bromo-2-methylphenyl)acetate
INCHI	InChI=1S/C11H13BrO2/c1-3-14-11(13)7-9-5-4-6-10(12)8(9)2/h4-6H,3,7H2,1-2H3
InChIKey	XNNADSVIJHLPHG-UHFFFAOYSA-N
Smiles	CCOC(=O)CC1=C(C(=CC=C1)Br)C
Isomeric SMILES	CCOC(=O)CC1=C(C(=CC=C1)Br)C
PubChem CID	71433095
Molecular Weight	257.12

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	257.120 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	256.01 Da
Monoisotopic Mass	256.01 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	194.000
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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