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1-Cyclohexenylacetonitrile - 97%, high purity , CAS No.6975-71-9

COA

Grade & Purity:

≥97%

Cas Number: 6975-71-9
Molecular Weight: 121.18
MDL number: MFCD00001566
PubChem CID: 81461
PubChem SID: 488185972

In stock

Item Number

C122415

Grouped product items
SKU	Size	Availability	Price
C122415-1g	1g	3	$9.90
C122415-5g	5g	5	$28.90
C122415-10g	10g	5	$43.90
C122415-25g	25g	3	$98.90

Basic Description

Synonyms	AB00143 \| InChI=1/C8H11N/c9-7-6-8-4-2-1-3-5-8/h4H,1-3,5-6H \| AKOS004115243 \| EN300-72661 \| DTXSID1064536 \| UNII-F7P4K7ULM7 \| 1-Cyclohexeneacetonitrile \| MFCD00153847 \| NSC 21642 \| cyclohex-1-enyl-acetonitrile \| EINECS 230-235-6 \| MFCD00001566 \| AI3-04979
Specifications & Purity	≥97%
Shipped In	Normal

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 homomonocyclic compounds
Substituents	Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic homomonocyclic 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

Pubchem Sid	488185972
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488185972
IUPAC Name	2-(cyclohexen-1-yl)acetonitrile
INCHI	InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h4H,1-3,5-6H2
InChIKey	OYEXEQFKIPJKJK-UHFFFAOYSA-N
Smiles	C1CCC(=CC1)CC#N
Isomeric SMILES	C1CCC(=CC1)CC#N
Molecular Weight	121.18
Reaxy-Rn	2324155
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2324155&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
B23071104	Certificate of Analysis	Nov 11, 2024	C122415
B23071097	Certificate of Analysis	Nov 11, 2024	C122415
F2514022	Certificate of Analysis	Nov 07, 2024	C122415
B23071085	Certificate of Analysis	Nov 07, 2024	C122415
B23071051	Certificate of Analysis	Nov 07, 2024	C122415

Chemical and Physical Properties

Flash Point(°C)	84°C
Boil Point(°C)	144°C/90mmHg
Molecular Weight	121.180 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	121.089 Da
Monoisotopic Mass	121.089 Da
Topological Polar Surface Area	23.800 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	159.000
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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