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4-Butylbenzonitrile - 98%, high purity , CAS No.20651-73-4

COA

Grade & Purity:

≥98%

Cas Number: 20651-73-4
Molecular Weight: 159.23
PubChem CID: 140730
PubChem SID: 488188090

In stock

Item Number

B168447

Grouped product items
SKU	Size	Availability	Price
B168447-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$14.90
B168447-5g	5g	4	$57.90
B168447-25g	25g	1	$190.90
B168447-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$687.90

Discover 4-Butylbenzonitrile by Aladdin Scientific in 98% for only $14.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	SCHEMBL3753968 \| 1-Butyl-4-cyanobenzene \| AKOS015839523 \| D97359 \| Benzonitrile, 4-butyl- \| Benzonitrile,4-butyl- \| J-013490 \| 4-butylbenzenecarbonitrile \| 4-Butylbenzonitrile \| 4-butyl-benzonitrile \| 4-Butylbenzonitrile, 98% \| AS-57716 \| FT-0617945 \| 4-(
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzonitriles

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzonitriles
Intermediate Tree Nodes	Not available
Direct Parent	Benzonitriles
Alternative Parents	Nitriles Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	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 benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
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	488188090
IUPAC Name	4-butylbenzonitrile
INCHI	InChI=1S/C11H13N/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-8H,2-4H2,1H3
InChIKey	KGZNJCXNPLUEQS-UHFFFAOYSA-N
Smiles	CCCCC1=CC=C(C=C1)C#N
Isomeric SMILES	CCCCC1=CC=C(C=C1)C#N
WGK Germany	3
Molecular Weight	159.23
Reaxy-Rn	2327442
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2327442&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.

6 results found

Lot Number	Certificate Type	Date	Item
L1806145	Certificate of Analysis	Jul 04, 2024	B168447
L1806144	Certificate of Analysis	Jul 04, 2024	B168447
F2425019	Certificate of Analysis	Jun 28, 2024	B168447
C2317464	Certificate of Analysis	Mar 28, 2023	B168447
L2212290	Certificate of Analysis	Dec 23, 2022	B168447
L22071234	Certificate of Analysis	Dec 23, 2022	B168447

Chemical and Physical Properties

Flash Point(°F)	143.6 °F
Flash Point(°C)	62 °C
Molecular Weight	159.230 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	159.105 Da
Monoisotopic Mass	159.105 Da
Topological Polar Surface Area	23.800 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	157.000
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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