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4-(2-Bromoethyl)benzonitrile - 97%, high purity , CAS No.72054-56-9

COA

Grade & Purity:

≥97%

Cas Number: 72054-56-9
Molecular Weight: 210.07
PubChem CID: 12886548
PubChem SID: 488198278

In stock

Item Number

B194753

Grouped product items
SKU	Size	Availability	Price
B194753-100mg	100mg	3	$32.90
B194753-250mg	250mg	5	$54.90
B194753-1g	1g	4	$109.90
B194753-5g	5g	3	$491.90
B194753-25g	25g	1	$2,211.90

Basic Description

Synonyms	4-(2-BROMOETHYL)BENZONITRILE \| 72054-56-9 \| MFCD12025077 \| Benzonitrile, 4-(2-bromoethyl)- \| Cobaltgluconate \| 4-Cyanophenethyl bromide \| SCHEMBL508063 \| DTXSID80512333 \| NNNRGWOWXNCGCV-UHFFFAOYSA-N \| AKOS014197341 \| AM83182 \| CS-W018706 \| AC-28574 \| DS-12869 \| SY031931 \| EN300-298023
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	Nitriles Organobromides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzonitrile - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - 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	488198278
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488198278
IUPAC Name	4-(2-bromoethyl)benzonitrile
INCHI	InChI=1S/C9H8BrN/c10-6-5-8-1-3-9(7-11)4-2-8/h1-4H,5-6H2
InChIKey	NNNRGWOWXNCGCV-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1CCBr)C#N
Isomeric SMILES	C1=CC(=CC=C1CCBr)C#N
Molecular Weight	210.07
Reaxy-Rn	1864196
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1864196&ln=

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

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

Analytical Chart:

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10 results found

Lot Number	Certificate Type	Date	Item
E2329909	Certificate of Analysis	Apr 19, 2023	B194753
E2329898	Certificate of Analysis	Apr 19, 2023	B194753
E2329912	Certificate of Analysis	Apr 19, 2023	B194753
E2329920	Certificate of Analysis	Apr 19, 2023	B194753
E2329921	Certificate of Analysis	Apr 19, 2023	B194753
E2329906	Certificate of Analysis	Apr 19, 2023	B194753
E2329917	Certificate of Analysis	Apr 19, 2023	B194753
E2329918	Certificate of Analysis	Apr 19, 2023	B194753
E2329908	Certificate of Analysis	Apr 19, 2023	B194753
E2329925	Certificate of Analysis	Apr 19, 2023	B194753

Chemical and Physical Properties

Molecular Weight	210.070 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	208.984 Da
Monoisotopic Mass	208.984 Da
Topological Polar Surface Area	23.800 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	150.000
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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