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1，4-dichlorophthalazine-6-carbonitrile - ≥95%, high purity , CAS No.178308-61-7

COA

Grade & Purity:

≥95%

Cas Number: 178308-61-7
Molecular Weight: 224.04
PubChem CID: 10656738

In stock

Item Number

D724942

Grouped product items
SKU	Size	Availability	Price
D724942-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$425.90
D724942-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,387.90
D724942-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,745.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazanaphthalenes
    - Subclass Benzodiazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazanaphthalenes
Subclass	Benzodiazines
Intermediate Tree Nodes	Not available
Direct Parent	Phthalazines
Alternative Parents	Pyridazines and derivatives Benzenoids Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phthalazine - Aryl chloride - Aryl halide - Pyridazine - Benzenoid - Heteroaromatic compound - Nitrile - Carbonitrile - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Cyanide - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phthalazines. These are compounds containing a phthalazine moiety, which consists of a benzene ring fused to a pyridazine, forming a 2,3-benzodiazine skeleton.
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	1,4-dichlorophthalazine-6-carbonitrile
INCHI	InChI=1S/C9H3Cl2N3/c10-8-6-2-1-5(4-12)3-7(6)9(11)14-13-8/h1-3H
InChIKey	FRJDQOMCKHDEJQ-UHFFFAOYSA-N
Smiles	C1=CC2=C(C=C1C#N)C(=NN=C2Cl)Cl
Isomeric SMILES	C1=CC2=C(C=C1C#N)C(=NN=C2Cl)Cl
PubChem CID	10656738
Molecular Weight	224.04

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	224.040 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	222.97 Da
Monoisotopic Mass	222.97 Da
Topological Polar Surface Area	49.600 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	262.000
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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