4,5-Dichloro-2-(4-chlorophenyl)-3(2H)-pyridazinone

HCID 779402

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Basic information

CAS: 33098-11-2
Standard SMILES: O=c1c(Cl)c(Cl)cnn1-c1ccc(Cl)cc1
InChIKey: NSDMHMDFFLRTAE-UHFFFAOYSA-N
Molecular formula: C10H5Cl3N2O
Average molar mass: 275.5 g/mol
Monoisotopic mass: 273.946746

Names & identifiers

Preferred name: 4,5-Dichloro-2-(4-chlorophenyl)-3(2H)-pyridazinone
IUPAC: 4,5-dichloro-2-(4-chlorophenyl)pyridazin-3-one
English name: 4,5-Dichloro-2-(4-Chlorophenyl)-2,3-Dihydropyridazin-3-One
Molecular formula: C10H5Cl3N2O
Molecular weight: 275.52

Names & synonyms

33098-11-24,5-dichloro-2-(4-chlorophenyl)-2,3-dihydropyridazin-3-oneDTXSID3012301264,5-dichloro-2-(4-chlorophenyl)-3(2H)-pyridazinoneRefChem:507658DTXCID701661351870-416-24,5-dichloro-2-(4-chlorophenyl)pyridazin-3-one4,5-Dichloro-2-(4-chlorophenyl)pyridazin-3(2H)-oneMFCD008142683(2H)-Pyridazinone, 4,5-dichloro-2-(4-chlorophenyl)-Cambridge id 5349968

Show more names

SCHEMBL4672474NSDMHMDFFLRTAE-UHFFFAOYSA-NIBA09811AKOS000135006BS-41876SY126142CS-0036388EN300-41154

Database identifiers

CAS: 33098-11-2
PubChem CID: 779402
DTXSID: DTXSID301230126
EC Number: 870-416-2

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 32.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 359

Physicochemical properties

Melting point: 186 · 186-188 °C(Solv: ethanol (64-17-5))
Boiling point: 353 · 353.0±52.0 °C(Predicted)
Density: 1.55 · 1.55±0.1 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: -4.22 · -4.22±0.60(Predicted)
Appearance: Off-white to light yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H302-H332-H312-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

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%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H302-H332-H312-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501