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Ethyl 4-bromobenzoate - ≥98.0%(GC), high purity , CAS No.5798-75-4

1 Citations

COA

Grade & Purity:

≥98%(GC)

Cas Number: 5798-75-4
Molecular Weight: 229.07
Beilstein Registry Number: 9(3)1405
EC Number: 227-347-2
MDL number: MFCD00016329
PubChem CID: 22043
PubChem SID: 504753066

In stock

Item Number

E139030

Grouped product items
SKU	Size	Availability	Price
E139030-5g	5g	3	$22.90
E139030-10g	10g	3	$34.90
E139030-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$66.90
E139030-50g	50g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$102.90
E139030-100g	100g	3	$157.90
E139030-250g	250g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$354.90

View related series

Carboxylate (915) Non heterocyclic block (8163)

Basic Description

Synonyms	UNII-58G35541Q1 \| ethyl4-bromobenzoate \| AM20060679 \| Ethyl 4-bromobenzoate \| ethyl 4-bromo-benzoate \| PS-3134 \| 4-(Ethoxycarbonyl)-1-bromobenzene \| STR02382 \| F0001-1512 \| NSC 67387 \| 4-Bromobenzoic Acid Ethyl Ester \| 4-bromo-benzoic acid ethyl ester \| E
Specifications & Purity	≥98%(GC)
Shipped In	Normal
Product Description	product description： Ethyl 4-bromobenzoate is an ester having electron-withdrawing substituent. It undergoes reduction with potassium diisobutyl-t-butoxyaluminum hydride (PDBBA) at 0°C to yield aldehydes. Reaction of ethyl 4-bromobenzoate and substituted benzyl chloride with zinc dust and a Pd catalyst is reported. Application： Ethyl 4-bromobenzoate undergoes reduction with potassium diisobutyl-t-butoxyaluminum hydride (PDBBA) at 0Â°C to yield aldehydes. Reaction of ethyl 4-bromobenzoate and substituted benzyl chloride with zinc dust and a Pd catalyst is reported.

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	4-halobenzoic acids and derivatives Benzoyl derivatives Bromobenzenes Aryl bromides Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - 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

Pubchem Sid	504753066
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504753066
IUPAC Name	ethyl 4-bromobenzoate
INCHI	InChI=1S/C9H9BrO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
InChIKey	XZIAFENWXIQIKR-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=CC=C(C=C1)Br
Isomeric SMILES	CCOC(=O)C1=CC=C(C=C1)Br
WGK Germany	3
Molecular Weight	229.07
Beilstein	9(3)1405
Reaxy-Rn	1867129
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1867129&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

10 results found

Lot Number	Certificate Type	Date	Item
A2206836	Certificate of Analysis	Jul 09, 2025	E139030
A2206787	Certificate of Analysis	Jul 09, 2025	E139030
A2206762	Certificate of Analysis	Jul 09, 2025	E139030
D1626089	Certificate of Analysis	Jul 09, 2025	E139030
L2205115	Certificate of Analysis	Sep 06, 2024	E139030
L2205047	Certificate of Analysis	Sep 06, 2024	E139030
L2205032	Certificate of Analysis	Sep 06, 2024	E139030
L2205048	Certificate of Analysis	Sep 06, 2024	E139030
L2205051	Certificate of Analysis	Sep 06, 2024	E139030
A2206793	Certificate of Analysis	Oct 07, 2023	E139030

Chemical and Physical Properties

Solubility	Slightly soluble in water.
Refractive Index	n20/D 1.544 (lit.)
Flash Point(°F)	>235.4 °F
Flash Point(°C)	>113 °C
Boil Point(°C)	131 °C/14 mmHg (lit.)
Molecular Weight	229.070 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	227.979 Da
Monoisotopic Mass	227.979 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	151.000
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

Citations of This Product

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