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4-Chlorophthalazin-1(2H)-one - 97%, high purity , CAS No.2257-69-4

COA

Grade & Purity:

≥97%

Cas Number: 2257-69-4
Molecular Weight: 180.59
PubChem CID: 2775142
PubChem SID: 504761900

In stock

Item Number

C588248

Grouped product items
SKU	Size	Availability	Price
C588248-250mg	250mg	3	$14.90
C588248-1g	1g	3	$44.90
C588248-5g	5g	2	$183.90
C588248-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$824.90

Basic Description

Synonyms	AS-30151 \| BP-10972 \| MFCD00102192 \| 4-CHLORO-1,2-DIHYDROPHTHALAZIN-1-ONE \| 4-chlorophthalazin-1-one \| Q27454516 \| 4-chlorophthalazin-1-ol \| DTXSID10379411 \| 4-chlorophthalazone \| AKOS002665692 \| SY239062 \| AKOS003349258 \| BBL100188 \| 4,4-cyclohexylideneb
Specifications & Purity	≥97%
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazanaphthalenes
    - Subclass Benzodiazines
      - Level5 Phthalazines
        Level6 Phthalazinones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazanaphthalenes
Subclass	Benzodiazines
Intermediate Tree Nodes	Phthalazines
Direct Parent	Phthalazinones
Alternative Parents	Pyridazinones Benzenoids Aryl chlorides Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phthalazinone - Pyridazinone - Aryl chloride - Aryl halide - Pyridazine - Benzenoid - Heteroaromatic compound - Lactam - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phthalazinones. These are compounds containing a phthalazine bearing a ketone group.
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504761900
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504761900
IUPAC Name	4-chloro-2H-phthalazin-1-one
INCHI	InChI=1S/C8H5ClN2O/c9-7-5-3-1-2-4-6(5)8(12)11-10-7/h1-4H,(H,11,12)
InChIKey	QCKGMJDOJRNSMS-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C(=O)NN=C2Cl
Isomeric SMILES	C1=CC=C2C(=C1)C(=O)NN=C2Cl
Molecular Weight	180.59
Reaxy-Rn	136147
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=136147&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
I2305302	Certificate of Analysis	Aug 23, 2023	C588248
I2305303	Certificate of Analysis	Aug 23, 2023	C588248
I2305305	Certificate of Analysis	Aug 23, 2023	C588248
I2305304	Certificate of Analysis	Aug 23, 2023	C588248

Chemical and Physical Properties

Melt Point(°C)	270-274°C
Molecular Weight	180.590 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	180.009 Da
Monoisotopic Mass	180.009 Da
Topological Polar Surface Area	41.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	239.000
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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