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4,5-Dichloro-2-(4-nitrophenyl)-2,3-dihydropyridazin-3-one

HCID 329050
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Basic information

CAS
24725-60-8
Standard SMILES
O=c1c(Cl)c(Cl)cnn1-c1ccc([N+](=O)[O-])cc1
InChIKey
QARILIFILZKMIE-UHFFFAOYSA-N
Molecular formula
C10H5Cl2N3O3
Average molar mass
286.07 g/mol
Monoisotopic mass
284.9707964

Names & identifiers

Preferred name
4,5-Dichloro-2-(4-nitrophenyl)-2,3-dihydropyridazin-3-one
IUPAC
4,5-dichloro-2-(4-nitrophenyl)pyridazin-3-one

Names & synonyms

4,5-dichloro-2-(4-nitrophenyl)-2,3-dihydropyridazin-3-one24725-60-84,5-dichloro-2-(4-nitrophenyl)pyridazin-3-one2-(4-Nitrophenyl)-4,5-dichloropyridazin-3-one4,5-dichloro-2-(4-nitrophenyl)pyridazin-3(2H)-oneNSC310148pyridazinone, 2-43Cambridge id 5344191Oprea1_502597CHEMBL595641SCHEMBL1462668BDBM33356
Show more names
DTXSID20317021QARILIFILZKMIE-UHFFFAOYSA-NZAA72560AKOS008122168NSC-310148DS-004526CS-0256420EN300-64869

Database identifiers

CAS
24725-60-8
PubChem CID
329050
DTXSID
DTXSID20317021
ChEMBL
CHEMBL595641
EC Number
156-479-2
Nikkaji
J1.932.034K

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
78.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
18
Formal charge
0
Complexity
436

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Related reactions

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Compound notes

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