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2-Bromo-4,5-diethoxybenzonitrile - 97%, high purity , CAS No.445007-64-7

COA

Grade & Purity:

≥97%

Cas Number: 445007-64-7
Molecular Weight: 270.12
PubChem CID: 1225464
PubChem SID: 488191749

In stock

Item Number

B170397

Grouped product items
SKU	Size	Availability	Price
B170397-250mg	250mg	2	$158.90
B170397-1g	1g	5	$499.90
B170397-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,717.90

Discover 2-Bromo-4,5-diethoxybenzonitrile by Aladdin Scientific in 97% for only $158.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	2-bromo-4,5-diethoxybenzonitrile \| 445007-64-7 \| 445005-64-1 \| DTXSID40361162 \| BBL016353 \| MFCD02256850 \| STK398115 \| AKOS000303636 \| AS-61169 \| A7066 \| 2-Bromo-4,5-diethoxybenzonitrile, AldrichCPR
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenol ethers

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenol ethers
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenol ethers
Alternative Parents	Phenoxy compounds Benzonitriles Bromobenzenes Alkyl aryl ethers Aryl bromides Nitriles Organopnictogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzonitrile - Phenol ether - Phenoxy compound - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Ether - Carbonitrile - Nitrile - Organobromide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with 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

Pubchem Sid	488191749
IUPAC Name	2-bromo-4,5-diethoxybenzonitrile
INCHI	InChI=1S/C11H12BrNO2/c1-3-14-10-5-8(7-13)9(12)6-11(10)15-4-2/h5-6H,3-4H2,1-2H3
InChIKey	ZWUUIGRMTVSDRU-UHFFFAOYSA-N
Smiles	CCOC1=C(C=C(C(=C1)C#N)Br)OCC
Isomeric SMILES	CCOC1=C(C=C(C(=C1)C#N)Br)OCC
PubChem CID	1225464
Molecular Weight	270.12

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
J2113271	Certificate of Analysis	Jul 19, 2024	B170397
J2113272	Certificate of Analysis	Jul 19, 2024	B170397
J2113273	Certificate of Analysis	Jul 19, 2024	B170397
C2317478	Certificate of Analysis	Aug 28, 2021	B170397

Chemical and Physical Properties

Molecular Weight	270.120 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	269.005 Da
Monoisotopic Mass	269.005 Da
Topological Polar Surface Area	42.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	238.000
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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