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5-Chloro-2-formylbenzonitrile - 98%, high purity , CAS No.77532-88-8

COA

Grade & Purity:

≥98%

Cas Number: 77532-88-8
Molecular Weight: 165.58
PubChem CID: 20296649

In stock

Item Number

C195019

Grouped product items
SKU	Size	Availability	Price
C195019-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$36.90
C195019-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$98.90
C195019-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$340.90
C195019-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$613.90

Discover 5-Chloro-2-formylbenzonitrile by Aladdin Scientific in 98% for only $36.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	5-CHLORO-2-FORMYLBENZONITRILE \| 77532-88-8 \| 4-CHLORO-2-CYANOBENZALDEHYDE \| 5-Chloro-2-formyl benzonitrile \| SCHEMBL11358448 \| DTXSID50604774 \| CL9432 \| MFCD10699538 \| AKOS006304877 \| CS-W018964 \| DS-4589 \| MB08901
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoyl derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoyl derivatives
Alternative Parents	Benzonitriles Benzaldehydes Chlorobenzenes Aryl chlorides Nitriles Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzaldehyde - Benzonitrile - Benzoyl - Chlorobenzene - Halobenzene - Aryl-aldehyde - Aryl halide - Aryl chloride - Nitrile - Carbonitrile - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aldehyde - Cyanide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
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

IUPAC Name	5-chloro-2-formylbenzonitrile
INCHI	InChI=1S/C8H4ClNO/c9-8-2-1-6(5-11)7(3-8)4-10/h1-3,5H
InChIKey	PAYXNEOSNJICEG-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1Cl)C#N)C=O
Isomeric SMILES	C1=CC(=C(C=C1Cl)C#N)C=O
Molecular Weight	165.58
Reaxy-Rn	20556368
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20556368&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	165.570 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	164.998 Da
Monoisotopic Mass	164.998 Da
Topological Polar Surface Area	40.900 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	196.000
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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