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1,4-Dichloro-5-methylphthalazine - 95%, high purity , CAS No.678193-44-7

COA

Grade & Purity:

≥95%

Cas Number: 678193-44-7
Molecular Weight: 213.06
PubChem CID: 53421802

In stock

Item Number

D194553

Grouped product items
SKU	Size	Availability	Price	Qty
D194553-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$227.90
D194553-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$543.90

Basic Description

Synonyms	1,4-DICHLORO-5-METHYLPHTHALAZINE \| 678193-44-7 \| 1,4-DICHLORO-5-METHYL-PHTHALAZINE \| MFCD09038127 \| Phthalazine, 1,4-dichloro-5-methyl- \| DTXSID70697885 \| AKOS016003708 \| DS-15958 \| SY103364 \| CS-0454868 \| EN300-4263610 \| A867186 \| Z1269169548
Specifications & Purity	≥95%
Shipped In	Normal

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 Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phthalazine - Benzenoid - Pyridazine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen 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-dichloro-5-methylphthalazine
INCHI	InChI=1S/C9H6Cl2N2/c1-5-3-2-4-6-7(5)9(11)13-12-8(6)10/h2-4H,1H3
InChIKey	SYLVRLGENAJCHB-UHFFFAOYSA-N
Smiles	CC1=C2C(=CC=C1)C(=NN=C2Cl)Cl
Isomeric SMILES	CC1=C2C(=CC=C1)C(=NN=C2Cl)Cl
Molecular Weight	213.06
Reaxy-Rn	9698362
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9698362&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	213.060 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	211.991 Da
Monoisotopic Mass	211.991 Da
Topological Polar Surface Area	25.800 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	188.000
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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