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6-Chloro[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one - 95%, high purity , CAS No.33050-32-7

COA

Grade & Purity:

≥95%

Cas Number: 33050-32-7
Molecular Weight: 170.56
PubChem CID: 6407182
PubChem SID: 504764110

In stock

Item Number

C349407

Grouped product items
SKU	Size	Availability	Price
C349407-500mg	500mg	3	$224.90
C349407-1g	1g	3	$288.90
C349407-5g	5g	4	$1,299.90

Basic Description

Synonyms	MFCD01219639 \| BBL009690 \| 6-chloro-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one \| OXXDECZCLRNVKK-UHFFFAOYSA-N \| AMY31816 \| 3-hydroxy-6-chloro-1,2,4-triazolo[4,3-b]pyridazine \| 6-Chloro-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one \| 6-chloro[1,2,4]triazolo[4,3-b
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Triazoles
      - Level5 Triazolones
        Level6 Aryl 1,2,4-triazolones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Triazoles
Intermediate Tree Nodes	Triazolones
Direct Parent	Aryl 1,2,4-triazolones
Alternative Parents	Triazolopyridazines Pyridazines and derivatives Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Aryl 1,2,4-triazol-3-one - Triazolopyridazine - Aryl chloride - Aryl halide - Pyridazine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as aryl 1,2,4-triazolones. These are aromatic heterocyclic compounds containing a 1,2,4-triazolone moiety that is substituted at the 5-position with an aryl 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

Names and Identifiers

Pubchem Sid	504764110
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504764110
IUPAC Name	6-chloro-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
INCHI	InChI=1S/C5H3ClN4O/c6-3-1-2-4-7-8-5(11)10(4)9-3/h1-2H,(H,8,11)
InChIKey	OXXDECZCLRNVKK-UHFFFAOYSA-N
Smiles	C1=CC(=NN2C1=NNC2=O)Cl
Isomeric SMILES	C1=CC(=NN2C1=NNC2=O)Cl
Molecular Weight	170.56
Reaxy-Rn	1212258
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1212258&ln=

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

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4 results found

Lot Number	Certificate Type	Date	Item
C2504166	Certificate of Analysis	Oct 10, 2022	C349407
K2229192	Certificate of Analysis	Oct 10, 2022	C349407
K2229198	Certificate of Analysis	Oct 10, 2022	C349407
K2229191	Certificate of Analysis	Oct 10, 2022	C349407

Chemical and Physical Properties

Solubility	DMSO (Sparingly), Methanol (Slightly, Sonicated)
Refractive Index	n20D1.85
Melt Point(°C)	265-275° C
Molecular Weight	170.560 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	170 Da
Monoisotopic Mass	170 Da
Topological Polar Surface Area	57.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	306.000
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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