CAS 41933-33-9 2-Benzyl-4,5-dichloro-2,3-dihydropyridazin-3-one (HCID 722438)

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Basic information

CAS: 41933-33-9
Standard SMILES: O=c1c(Cl)c(Cl)cnn1Cc1ccccc1
InChIKey: AJHBQZQCDCTOFD-UHFFFAOYSA-N
Molecular formula: C11H8Cl2N2O
Average molar mass: 255.1 g/mol
Monoisotopic mass: 254.00136824

Names & identifiers

Preferred name: 2-Benzyl-4,5-dichloro-2,3-dihydropyridazin-3-one
IUPAC: 2-benzyl-4,5-dichloropyridazin-3-one
English name: 2-Benzyl-4,5-dichloro-2,3-dihydropyridazin-3-one
Molecular formula: C11H8Cl2N2O
Molecular weight: 255.1

Names & synonyms

2-benzyl-4,5-dichloro-2,3-dihydropyridazin-3-oneRefChem:465653868-309-041933-33-92-benzyl-4,5-dichloropyridazin-3(2h)-oneEcDsbB-IN-92-benzyl-4,5-dichloropyridazin-3-oneMFCD000677732-benzyl-4,5-dichloro-2,3-dihydropyridazinone4,5-Dichloro-2-benzylpyridazin-3(2H)-oneOTAVA-BB BB01286300322-Benzyl-4,5-dichloropyridazine-3(2H)-one

Show more names

EcDsbBIN9,EcDsbB IN 9EcDsbB-IN-9, 10 mM in DMSO4,5-dichloro-2-(phenylmethyl)-3(2H)-Pyridazinone3(2H)-Pyridazinone, 4,5-dichloro-2-(phenylmethyl)-

Cambridge id 5357830orb1219790orb1306814SCHEMBL1691901DTXSID60352294AJHBQZQCDCTOFD-UHFFFAOYSA-NGLXC-05994HMS1583D01

Database identifiers

CAS: 41933-33-9
PubChem CID: 722438
DTXSID: DTXSID60352294
EC Number: 868-309-0

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 32.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 346

Physicochemical properties

Melting point: 86 °C · 86 °C(Solv: hexane (110-54-3))
Boiling point: 338 · 338.0±52.0 °C(Predicted)
Density: 1.38 · 1.38±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -3.51 · -3.51±0.20(Predicted)
form: Solid
color: White to off-white
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 280 · P280-P305+P351+P338-P310
Hazard Codes: T
Risk Statements: 25 · 25-36
Safety Statements: 26 · 26-45

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, 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.