6-(4-Chlorophenyl)-2,3-dihydropyridazin-3-one

HCID 689085

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Basic information

CAS: 2166-13-4
Standard SMILES: O=c1ccc(-c2ccc(Cl)cc2)n[nH]1
InChIKey: HALBJPGFCUGLFM-UHFFFAOYSA-N
Molecular formula: C10H7ClN2O
Average molar mass: 206.63 g/mol
Monoisotopic mass: 206.02469052

Names & identifiers

Preferred name: 6-(4-Chlorophenyl)-2,3-dihydropyridazin-3-one
IUPAC: 3-(4-chlorophenyl)-1H-pyridazin-6-one
English name: 6-(4-CHLOROPHENYL)-3(2H)PYRIDAZINONE
Molecular formula: C10H7ClN2O
Molecular weight: 206.63

Names & synonyms

6-(4-chlorophenyl)-2,3-dihydropyridazin-3-oneRefChem:539391831-221-82166-13-46-(4-chlorophenyl)pyridazin-3(2H)-one3-(4-chlorophenyl)-1H-pyridazin-6-one6-(4-chlorophenyl)pyridazin-3-ol6-(4-Chlorophenyl)-3(2H)pyridazinone6-(4-chlorophenyl)-3(2H)-pyridazinone3(2H)-Pyridazinone, 6-(4-chlorophenyl)-MFCD026767086-(4-chlorophenyl)-2-hydropyridazin-3-one

Show more names

6-(4-chlorophenyl)-2H-pyridazin-3-oneSCHEMBL4819166-(4-chlorophenyl)pyridazinone6-(4-chlorophenyl)-pyridazinoneTIMTEC-BB SBB003481DTXSID60351040HALBJPGFCUGLFM-UHFFFAOYSA-NHMS1646A02

Database identifiers

CAS: 2166-13-4
PubChem CID: 689085
DTXSID: DTXSID60351040
EC Number: 831-221-8
Nikkaji: J685.149E

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 41.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 290

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical structure

Physicochemical properties

Density: 1.35 · 1.35±0.1 g/cm3(Predicted)
pka: 10.94 · 10.94±0.40(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H315-H319-H332-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
HazardClass: IRRITANT

Safety & regulation

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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H302-H312-H315-H319-H332-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501