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2-Chloro-3-methoxybenzonitrile - 98%, high purity , CAS No.853331-52-9

COA

Grade & Purity:

≥98%

Cas Number: 853331-52-9
Molecular Weight: 167.59
MDL number: MFCD07784400
PubChem CID: 16218064
PubChem SID: 488199280

In stock

Item Number

C300899

Grouped product items
SKU	Size	Availability	Price
C300899-250mg	250mg	3	$16.90
C300899-1g	1g	3	$50.90
C300899-5g	5g	3	$226.90
C300899-10g	10g	5	$472.90
C300899-25g	25g	4	$1,062.90

Discover 2-Chloro-3-methoxybenzonitrile by Aladdin Scientific in 98% for only $16.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	2-Chloro-3-methoxybenzonitrile \| 853331-52-9 \| SCHEMBL2336325 \| DTXSID40584733 \| QZCKPEQQNFBXHZ-UHFFFAOYSA-N \| GEO-04562 \| MFCD07784400 \| 2-Chloro-3-methoxybenzonitrile, 97% \| AKOS023428908 \| AS-60341 \| SY129842 \| CS-0063937 \| FT-0712358 \| D73316
Specifications & Purity	≥98%
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	Phenoxy compounds Methoxybenzenes Anisoles Chlorobenzenes Alkyl aryl ethers Aryl chlorides Nitriles Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Anisole - Benzonitrile - Phenol ether - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Ether - Nitrile - Carbonitrile - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen 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	488199280
IUPAC Name	2-chloro-3-methoxybenzonitrile
INCHI	InChI=1S/C8H6ClNO/c1-11-7-4-2-3-6(5-10)8(7)9/h2-4H,1H3
InChIKey	QZCKPEQQNFBXHZ-UHFFFAOYSA-N
Smiles	COC1=CC=CC(=C1Cl)C#N
Isomeric SMILES	COC1=CC=CC(=C1Cl)C#N
WGK Germany	2
Molecular Weight	167.59
Reaxy-Rn	18880968
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18880968&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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10 results found

Lot Number	Certificate Type	Date	Item
G23121044	Certificate of Analysis	Jun 21, 2023	C300899
G23121043	Certificate of Analysis	Jun 21, 2023	C300899
G23121038	Certificate of Analysis	Jun 21, 2023	C300899
G23121591	Certificate of Analysis	Jun 21, 2023	C300899
G23121589	Certificate of Analysis	Jun 21, 2023	C300899
G23121070	Certificate of Analysis	Jun 21, 2023	C300899
G23121066	Certificate of Analysis	Jun 21, 2023	C300899
G23121063	Certificate of Analysis	Jun 21, 2023	C300899
G23121055	Certificate of Analysis	Jun 21, 2023	C300899
G23121052	Certificate of Analysis	Jun 21, 2023	C300899

Chemical and Physical Properties

Melt Point(°C)	92-96 °C
Molecular Weight	167.590 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	167.014 Da
Monoisotopic Mass	167.014 Da
Topological Polar Surface Area	33.000 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	174.000
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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