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4,5-Dibromo-3(2H)-pyridazinone - 98%, high purity , CAS No.5788-58-9
Basic Description
Synonyms
4,5-dibromopyridazinone | 4,5-dibromo-2,3-dihydropyridazin-3-one | AM20100418 | SCHEMBL709632 | A831661 | NSC38292 | NSC-38292 | FT-0600261 | SY023986 | MFCD00023641 | J-514074 | STL573304 | 4,5-dibromo-1H-pyridazin-6-one | AKOS001379670 | 4,5-Dibromo-3[2
Specifications & Purity
≥98%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyridazines and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyridazinones
Alternative Parents
Aryl bromides Vinylogous halides Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyridazinone - Aryl bromide - Aryl halide - Vinylogous halide - Heteroaromatic compound - Lactam - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridazinones. These are compounds containing a pyridazine ring which bears a ketone.
External Descriptors
Not available
Data sources
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.
Names and Identifiers
IUPAC Name
4,5-dibromo-1H-pyridazin-6-one
INCHI
InChI=1S/C4H2Br2N2O/c5-2-1-7-8-4(9)3(2)6/h1H,(H,8,9)
InChIKey
AGLQURQNVJVJNB-UHFFFAOYSA-N
Smiles
C1=NNC(=O)C(=C1Br)Br
Isomeric SMILES
C1=NNC(=O)C(=C1Br)Br
Molecular Weight
253.89
Beilstein
121469
Reaxy-Rn
121469
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=121469&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
220°C
Molecular Weight
253.880 g/mol
XLogP3
1.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
253.851 Da
Monoisotopic Mass
251.853 Da
Topological Polar Surface Area
41.500 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
209.000
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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D1410061