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cyclobutanecarbonitrile - 97%, high purity , CAS No.4426-11-3

COA

Grade & Purity:

≥97%

Cas Number: 4426-11-3
Molecular Weight: 81.12
Beilstein Registry Number: 2037573
MDL number: MFCD00013735
PubChem CID: 78148
PubChem SID: 488185523

In stock

Item Number

C479085

Grouped product items
SKU	Size	Availability	Price
C479085-100g	100g	2	$430.90
C479085-1g	1g	3	$10.90
C479085-25g	25g	4	$140.90
C479085-5g	5g	5	$40.90

Basic Description

Synonyms	cyclobutanecarbonitrile, AldrichCPR \| Cyclobutanecarbonitrile \| Cyanocyclobutane;Cyclobutanecarbonitrile \| Z406694072 \| BCP21734 \| STL554602 \| AKOS009158004 \| BBL100808 \| cyclobutane carbonitrile \| EINECS 224-606-1 \| Cyclobutyl cyanide \| cyclobutancarboni
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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	488185523
IUPAC Name	cyclobutanecarbonitrile
INCHI	InChI=1S/C5H7N/c6-4-5-2-1-3-5/h5H,1-3H2
InChIKey	GFBLFDSCAKHHGX-UHFFFAOYSA-N
Smiles	C1CC(C1)C#N
Isomeric SMILES	C1CC(C1)C#N
UN Number	2811
Packing Group	III
Molecular Weight	81.12
Beilstein	2037573
Reaxy-Rn	2037573
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2037573&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
E2330723	Certificate of Analysis	Apr 26, 2023	C479085
E2330683	Certificate of Analysis	Apr 26, 2023	C479085
E2330730	Certificate of Analysis	Apr 26, 2023	C479085
E2330699	Certificate of Analysis	Apr 26, 2023	C479085
E2330722	Certificate of Analysis	Apr 26, 2023	C479085
E2330727	Certificate of Analysis	Apr 26, 2023	C479085
E2330731	Certificate of Analysis	Apr 26, 2023	C479085
E2330733	Certificate of Analysis	Apr 26, 2023	C479085

Chemical and Physical Properties

Solubility	Slightly soluble in water
Refractive Index	1.4325
Boil Point(°C)	144-146℃
Molecular Weight	81.120 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	81.0578 Da
Monoisotopic Mass	81.0578 Da
Topological Polar Surface Area	23.800 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	83.400
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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