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3-Bromo-5-ethoxy-4-methoxybenzonitrile - 97%, high purity , CAS No.515831-52-4

COA

Grade & Purity:

≥97%

Cas Number: 515831-52-4
Molecular Weight: 256.1
PubChem CID: 4532814
PubChem SID: 504763046

In stock

Item Number

B170717

Grouped product items
SKU	Size	Availability	Price
B170717-250mg	250mg	2	$57.90
B170717-1g	1g	1	$154.90
B170717-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$538.90

Basic Description

Synonyms	3-bromo-5-ethoxy-4-methoxybenzonitrile \| 515831-52-4 \| MFCD02256583 \| DTXSID00404009 \| STK437200 \| AKOS000305189 \| AS-63865 \| CS-0308205 \| FT-0766217 \| EN300-110907 \| 3-Bromo-5-ethoxy-4-methoxybenzonitrile, AldrichCPR
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzonitriles
Intermediate Tree Nodes	Not available
Direct Parent	Benzonitriles
Alternative Parents	Phenoxy compounds Methoxybenzenes Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Nitriles Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Anisole - Benzonitrile - Phenol ether - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Ether - Nitrile - Carbonitrile - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
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	504763046
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504763046
IUPAC Name	3-bromo-5-ethoxy-4-methoxybenzonitrile
INCHI	InChI=1S/C10H10BrNO2/c1-3-14-9-5-7(6-12)4-8(11)10(9)13-2/h4-5H,3H2,1-2H3
InChIKey	CFCAZYRKZVCXAK-UHFFFAOYSA-N
Smiles	CCOC1=C(C(=CC(=C1)C#N)Br)OC
Isomeric SMILES	CCOC1=C(C(=CC(=C1)C#N)Br)OC
PubChem CID	4532814
Molecular Weight	256.1

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.

4 results found

Lot Number	Certificate Type	Date	Item
F2513730	Certificate of Analysis	Jun 17, 2025	B170717
D2107101	Certificate of Analysis	Jan 09, 2025	B170717
D2107104	Certificate of Analysis	Jan 09, 2025	B170717
D2107105	Certificate of Analysis	Jan 09, 2025	B170717

Chemical and Physical Properties

Molecular Weight	256.100 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	254.989 Da
Monoisotopic Mass	254.989 Da
Topological Polar Surface Area	42.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	225.000
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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