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4-Chloro-3-formylbenzonitrile - 98%, high purity , CAS No.105191-41-1

COA

Grade & Purity:

≥98%

Cas Number: 105191-41-1
Molecular Weight: 165.6
PubChem CID: 13567964

In stock

Item Number

C179027

Grouped product items
SKU	Size	Availability	Price
C179027-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$23.90
C179027-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$49.90
C179027-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$174.90
C179027-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$783.90
C179027-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,822.90

Discover 4-Chloro-3-formylbenzonitrile by Aladdin Scientific in 98% for only $23.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	4-chloro-3-formylbenzonitrile \| 105191-41-1 \| 2-Chloro-5-cyanobenzaldehyde \| 4-CHLORO-3-FORMYL-BENZONITRILE \| Benzonitrile, 4-chloro-3-formyl- \| MFCD11035756 \| BENZONITRILE,4-CHLORO-3-FORMYL \| SCHEMBL1798281 \| DTXSID20544012 \| JVRHVSUFKIQVFN-UHFFFAOYSA-N \| 4-chloro-3-formylb
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 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 Vinylogous halides Nitriles Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzaldehyde - Benzonitrile - Benzoyl - Chlorobenzene - Aryl-aldehyde - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Nitrile - Carbonitrile - Organochloride - Organohalogen compound - Organooxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - 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	4-chloro-3-formylbenzonitrile
INCHI	InChI=1S/C8H4ClNO/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3,5H
InChIKey	JVRHVSUFKIQVFN-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1C#N)C=O)Cl
Isomeric SMILES	C1=CC(=C(C=C1C#N)C=O)Cl
Molecular Weight	165.6
Reaxy-Rn	5499958
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5499958&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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