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2-(6-bromo-2,3-difluoro-phenyl)acetonitrile - 97%, high purity , CAS No.1517576-71-4

COA

Grade & Purity:

≥97%

Cas Number: 1517576-71-4
Molecular Weight: 232.02
PubChem CID: 83402083

In stock

Item Number

A629510

Grouped product items
SKU	Size	Availability	Price
A629510-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$99.90
A629510-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$299.90
A629510-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$499.90

Basic Description

Synonyms	6-Bromo-2,3-difluorophenylacetonitrile \| 1517576-71-4 \| 2-(6-bromo-2,3-difluorophenyl)acetonitrile \| 2-(6-bromo-2,3-difluoro-phenyl)acetonitrile \| SCHEMBL23496639 \| MFCD26686146 \| E80093 \| (2-(6-Bromo-2,3-difluoro-phenyl)acetonitrile) \| EN300-6501411 \| A9
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyl cyanides
Intermediate Tree Nodes	Not available
Direct Parent	Benzyl cyanides
Alternative Parents	Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Nitriles Organofluorides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzyl-cyanide - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Carbonitrile - Nitrile - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Cyanide - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzyl cyanides. These are organic compounds containing an acetonitrile with one hydrogen replaced by a phenyl group.
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	2-(6-bromo-2,3-difluorophenyl)acetonitrile
INCHI	InChI=1S/C8H4BrF2N/c9-6-1-2-7(10)8(11)5(6)3-4-12/h1-2H,3H2
InChIKey	FLFVGCCMEOSUQN-UHFFFAOYSA-N
Smiles	C1=CC(=C(C(=C1F)F)CC#N)Br
Isomeric SMILES	C1=CC(=C(C(=C1F)F)CC#N)Br
PubChem CID	83402083
Molecular Weight	232.02

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	232.020 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	230.95 Da
Monoisotopic Mass	230.95 Da
Topological Polar Surface Area	23.800 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	200.000
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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