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3-Chloro-5-methylbenzonitrile - 97%, high purity , CAS No.189161-09-9

COA

Grade & Purity:

≥97%

Cas Number: 189161-09-9
Molecular Weight: 151.6
PubChem CID: 10487036
PubChem SID: 488196678

In stock

Item Number

C182379

Grouped product items
SKU	Size	Availability	Price	Qty
C182379-1g	1g	4	$67.90
C182379-5g	5g	1	$223.90

Discover 3-Chloro-5-methylbenzonitrile by Aladdin Scientific in 97% for only $67.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	3-Chloro-5-methylbenzonitrile \| 189161-09-9 \| Benzonitrile, 3-chloro-5-methyl- \| 3-chloro-5-methyl-benzonitrile \| MFCD09800704 \| SCHEMBL409188 \| DTXSID10440635 \| VQMCGWDQAVDACL-UHFFFAOYSA-N \| CL8192 \| AKOS006326286 \| AM84109 \| FS-2134 \| SY041731 \| CS-0134444 \| FT-0733494 \| EN300-11343
Specifications & Purity	≥97%
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	Toluenes Chlorobenzenes Aryl chlorides Nitriles Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzonitrile - Toluene - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen 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	488196678
IUPAC Name	3-chloro-5-methylbenzonitrile
INCHI	InChI=1S/C8H6ClN/c1-6-2-7(5-10)4-8(9)3-6/h2-4H,1H3
InChIKey	VQMCGWDQAVDACL-UHFFFAOYSA-N
Smiles	CC1=CC(=CC(=C1)Cl)C#N
Isomeric SMILES	CC1=CC(=CC(=C1)Cl)C#N
Molecular Weight	151.6
Reaxy-Rn	7700188
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7700188&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.

2 results found

Lot Number	Certificate Type	Date	Item
K1929074	Certificate of Analysis	Sep 11, 2023	C182379
L2212446	Certificate of Analysis	Dec 17, 2022	C182379

Chemical and Physical Properties

Molecular Weight	151.590 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	151.019 Da
Monoisotopic Mass	151.019 Da
Topological Polar Surface Area	23.800 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	158.000
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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