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Methyl 5-bromo-2-ethylbenzoate - 98%, high purity , CAS No.439937-54-9

COA

Grade & Purity:

≥98%

Cas Number: 439937-54-9
Molecular Weight: 243.1
PubChem CID: 44226584

In stock

Item Number

M193421

Grouped product items
SKU	Size	Availability	Price	Qty
M193421-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$11.90
M193421-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$37.90

Discover Methyl 5-bromo-2-ethylbenzoate by Aladdin Scientific in 98% for only $11.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	methyl 5-bromo-2-ethylbenzoate \| 439937-54-9 \| MFCD11112975 \| Benzoic acid, 5-bromo-2-ethyl-, methyl ester \| Methyl5-bromo-2-ethylbenzoate \| 5-bromo-2-ethylbenzoic acid methyl ester \| SCHEMBL152998 \| DTXSID00657932 \| NYMZTCOVKDJUKT-UHFFFAOYSA-N \| CL9462 \| AKOS015842909 \| DS-47
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acid esters
Alternative Parents	3-halobenzoic acids and derivatives Benzoyl derivatives Bromobenzenes Aryl bromides Methyl esters Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoate ester - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
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	methyl 5-bromo-2-ethylbenzoate
INCHI	InChI=1S/C10H11BrO2/c1-3-7-4-5-8(11)6-9(7)10(12)13-2/h4-6H,3H2,1-2H3
InChIKey	NYMZTCOVKDJUKT-UHFFFAOYSA-N
Smiles	CCC1=C(C=C(C=C1)Br)C(=O)OC
Isomeric SMILES	CCC1=C(C=C(C=C1)Br)C(=O)OC
Molecular Weight	243.1
Reaxy-Rn	6387232
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6387232&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	243.100 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	241.994 Da
Monoisotopic Mass	241.994 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	182.000
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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