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Allyl cyanide - 97%, high purity , CAS No.109-75-1

1 Citations

COA

Grade & Purity:

≥97%

Cas Number: 109-75-1
Molecular Weight: 67.09
Beilstein Registry Number: 605352
EC Number: 203-701-1
MDL number: MFCD00001962
PubChem CID: 8009

In stock

Item Number

A124212

Grouped product items
SKU	Size	Availability	Price
A124212-5g	5g	2	$9.90
A124212-25g	25g	2	$34.90
A124212-100g	100g	1	$123.90

View related series

Allyl monomer (20) Polymer / polymer reagent (675)

Basic Description

Synonyms	beta-Butenonitrile \| Allyl cyanide, 98% \| CH2=CHCH2CN \| 3-Cyanopropene \| Allylkyanid \| STL301993 \| A0227 \| J-002325 \| AI3-18438 \| EINECS 203-701-1 \| H10716 \| WLN: NC2U1 \| .beta.-Butenonitrile \| FT-0615266 \| 2-Butenol-1 \| 3-Butenenitrile, 9CI \| 3-Cyano-1-p
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Application Allyl cyanide is used as an anti-microbial. It is also used as pharmaceutical intermediates.Allyl cyanide is a substance whose toxicity originates through cyanide liberation. Allyl cyanide is also a degradation product of allyl isothiocyanate, a natural compound found in plants that have been shown to exhibit strong antimicrobial activity.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Organic cyanides

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Organic cyanides
Intermediate Tree Nodes	Not available
Direct Parent	Nitriles
Alternative Parents	Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.
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	but-3-enenitrile
INCHI	InChI=1S/C4H5N/c1-2-3-4-5/h2H,1,3H2
InChIKey	SJNALLRHIVGIBI-UHFFFAOYSA-N
Smiles	C=CCC#N
Isomeric SMILES	C=CCC#N
WGK Germany	3
RTECS	EM8050000
UN Number	1992
Packing Group	III
Molecular Weight	67.09
Beilstein	605352
Reaxy-Rn	605352
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605352&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.

8 results found

Lot Number	Certificate Type	Date	Item
K2421325	Certificate of Analysis	Apr 26, 2024	A124212
C1920048	Certificate of Analysis	Jan 16, 2023	A124212
B2510068	Certificate of Analysis	Oct 18, 2022	A124212
K2201172	Certificate of Analysis	Oct 18, 2022	A124212
K2202005	Certificate of Analysis	Oct 18, 2022	A124212
F2210105	Certificate of Analysis	May 23, 2022	A124212
F2210102	Certificate of Analysis	May 23, 2022	A124212
F2210104	Certificate of Analysis	May 23, 2022	A124212

Chemical and Physical Properties

Solubility	Not miscible in water;Soluble in ether, alcohol
Sensitivity	Hygroscopic;Air sensitive
Refractive Index	1.406
Flash Point(°C)	24°C
Boil Point(°C)	118°C
Melt Point(°C)	-87℃
Molecular Weight	67.090 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	67.0422 Da
Monoisotopic Mass	67.0422 Da
Topological Polar Surface Area	23.800 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	65.000
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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