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2-Cyanophenylacetonitrile - >97.0%(GC), high purity , CAS No.3759-28-2

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2-Cyanophenylacetonitrile - >97.0%(GC), high purity , CAS No.3759-28-2

COA

Grade & Purity:

≥97%(GC)

Cas Number: 3759-28-2
Molecular Weight: 142.16
Beilstein Registry Number: 1940497
EC Number: 223-167-3
MDL number: MFCD00001895
PubChem CID: 77368
PubChem SID: 488185398

In stock

Item Number

C124216

Grouped product items
SKU	Size	Availability	Price
C124216-5g	5g	4	$31.90
C124216-25g	25g	2	$141.90
C124216-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$482.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	.alpha.-Cyano-ortho-tolunitrile \| alpha-cyanotolunitrile \| EINECS 223-167-3 \| STR03678 \| 2-Cyanobenzyl cyanide \| DTXSID80191026 \| (2-amino-3-hydroxy-6-methoxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)methyl carbamate \| SCHEMBL820195 \| (o
Specifications & Purity	≥97%(GC)
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	Benzonitriles Nitriles Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzyl-cyanide - Benzonitrile - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen 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

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Escherichia coli (133304 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Bacillus subtilis (32866 Activities)

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Bacillus thuringiensis (718 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Fusarium oxysporum (3998 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488185398
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488185398
IUPAC Name	2-(cyanomethyl)benzonitrile
INCHI	InChI=1S/C9H6N2/c10-6-5-8-3-1-2-4-9(8)7-11/h1-4H,5H2
InChIKey	GKHSEDFDYXZGCG-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)CC#N)C#N
Isomeric SMILES	C1=CC=C(C(=C1)CC#N)C#N
WGK Germany	3
RTECS	XV0930000
Molecular Weight	142.16
Beilstein	1940497
Reaxy-Rn	1940497
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1940497&ln=

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.

5 results found

Lot Number	Certificate Type	Date	Item
L2220065	Certificate of Analysis	Jan 05, 2023	C124216
L2205677	Certificate of Analysis	Dec 08, 2022	C124216
H1408205	Certificate of Analysis	Jun 11, 2022	C124216
H1408204	Certificate of Analysis	Jun 11, 2022	C124216
D1402060	Certificate of Analysis	Feb 19, 2022	C124216

Chemical and Physical Properties

Solubility	Soluble in Methanol
Melt Point(°C)	80°C
Molecular Weight	142.160 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	142.053 Da
Monoisotopic Mass	142.053 Da
Topological Polar Surface Area	47.600 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	214.000
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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2-Cyanophenylacetonitrile - >97.0%(GC), high purity , CAS No.3759-28-2

Basic Description

Taxonomic Classification

Associated Targets(non-human)

Mechanisms of Action

Names and Identifiers

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

Chemical and Physical Properties

Solution Calculators

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Reviews

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