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4-(4-Bromo-2-fluorophenyl)butanenitrile - 96%, high purity , CAS No.1057672-39-5

COA

Grade & Purity:

≥96%

Cas Number: 1057672-39-5
Molecular Weight: 242.1
PubChem CID: 53434561

In stock

Item Number

B179058

Grouped product items
SKU	Size	Availability	Price	Qty
B179058-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,287.90
B179058-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$5,079.90

Discover 4-(4-Bromo-2-fluorophenyl)butanenitrile by Aladdin Scientific in 96% for only $2,287.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	4-(4-BROMO-2-FLUOROPHENYL)BUTANENITRILE \| 1057672-39-5 \| DTXSID50700689 \| MFCD09744540 \| AKOS015908133 \| BS-26222 \| CS-0209649 \| A895946
Specifications & Purity	≥96%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Fluorobenzenes
Alternative Parents	Bromobenzenes Aryl fluorides Aryl bromides Nitriles Organopnictogen compounds Organofluorides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Bromobenzene - Fluorobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Carbonitrile - Nitrile - Organic nitrogen compound - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Cyanide - Organopnictogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to 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

IUPAC Name	4-(4-bromo-2-fluorophenyl)butanenitrile
INCHI	InChI=1S/C10H9BrFN/c11-9-5-4-8(10(12)7-9)3-1-2-6-13/h4-5,7H,1-3H2
InChIKey	VYVVZEIJTZBUQD-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1Br)F)CCCC#N
Isomeric SMILES	C1=CC(=C(C=C1Br)F)CCCC#N
PubChem CID	53434561
Molecular Weight	242.1

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	242.090 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	240.99 Da
Monoisotopic Mass	240.99 Da
Topological Polar Surface Area	23.800 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	198.000
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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