Skip to the beginning of the images gallery

4'-Butoxybenzylidene-4-cyanoaniline - 98% (cis- and trans- mixture), high purity , CAS No.36405-17-1

COA

Grade & Purity:

≥98%
mixture of cis and trans

Cas Number: 36405-17-1
Molecular Weight: 278.36
MDL number: MFCD00063742
PubChem CID: 118967
PubChem SID: 488187598

In stock

Item Number

B151834

Grouped product items
SKU	Size	Availability	Price
B151834-250mg	250mg	4	$78.90
B151834-1g	1g	9	$240.90
B151834-5g	5g	3	$1,081.90

View related series

Nematic liquid crystal (96)

Basic Description

Synonyms	4-[(4-Butoxybenzylidene)amino]benzonitrile \| 4'-Butoxybenzylidene-4-cyanoaniline, 98% \| Benzonitrile, 4-(((4-butoxyphenyl)methylene)amino)- \| T70834 \| B0252 \| FT-0639318 \| Benzonitrile, 4-[[(4-butoxyphenyl)methylene]amino]- \| EINECS 253-018-8 \| N-(p-Butox
Specifications & Purity	≥98%, mixture of cis and trans
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenol ethers

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenol ethers
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenol ethers
Alternative Parents	Phenoxy compounds Benzonitriles Alkyl aryl ethers Shiff bases Propargyl-type 1,3-dipolar organic compounds Nitriles Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Benzonitrile - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Shiff base - Aldimine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Imine - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
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	488187598
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488187598
IUPAC Name	4-[(4-butoxyphenyl)methylideneamino]benzonitrile
INCHI	InChI=1S/C18H18N2O/c1-2-3-12-21-18-10-6-16(7-11-18)14-20-17-8-4-15(13-19)5-9-17/h4-11,14H,2-3,12H2,1H3
InChIKey	JWLPZJPDDBBWQD-UHFFFAOYSA-N
Smiles	CCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C#N
Isomeric SMILES	CCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C#N
Molecular Weight	278.36
Reaxy-Rn	2220313
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2220313&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.

7 results found

Lot Number	Certificate Type	Date	Item
A2310506	Certificate of Analysis	Jan 16, 2023	B151834
C2511306	Certificate of Analysis	Aug 13, 2022	B151834
L2203200	Certificate of Analysis	Aug 13, 2022	B151834
L2203208	Certificate of Analysis	Aug 13, 2022	B151834
L2203209	Certificate of Analysis	Aug 13, 2022	B151834
L2203210	Certificate of Analysis	Aug 13, 2022	B151834
A2305151	Certificate of Analysis	Aug 13, 2022	B151834

Chemical and Physical Properties

Molecular Weight	278.300 g/mol
XLogP3	4.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	278.142 Da
Monoisotopic Mass	278.142 Da
Topological Polar Surface Area	45.400 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	355.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration