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

HCID 689073

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Basic information

CAS: 50636-57-2
Standard SMILES: O=c1ccc(-c2ccc(Br)cc2)n[nH]1
InChIKey: SXDHLGDAZQDUBI-UHFFFAOYSA-N
Molecular formula: C10H7BrN2O
Average molar mass: 251.08 g/mol
Monoisotopic mass: 249.97418

Names & identifiers

Preferred name: 6-(4-Bromophenyl)-2,3-dihydropyridazin-3-one
IUPAC: 3-(4-bromophenyl)-1H-pyridazin-6-one
English name: 6(4-Bromophenyl)-3(2H)pyridazinone
Molecular formula: C10H7BrN2O
Molecular weight: 251.08

Names & synonyms

6-(4-bromophenyl)-2,3-dihydropyridazin-3-oneRefChem:539379886-989-750636-57-26-(4-bromophenyl)pyridazin-3-ol6-(4-bromophenyl)pyridazin-3(2H)-one3-(4-bromophenyl)-1H-pyridazin-6-oneMFCD002034886(4-BROMOPHENYL)-3(2H)PYRIDAZINONE3(2H)-Pyridazinone, 6-(4-bromophenyl)-6-(4-bromophenyl)-2-hydropyridazin-3-one6-(4-Bromophenyl)-2H-pyridazin-3-one

Show more names

3(2H)-Pyridazinone,6-(4-bromophenyl)-6-(4-bromophenyl)-3(2H)-pyridazin-3-oneSCHEMBL928226F1967-0282DTXSID90351033ALBB-028394MFCD16652666SBB019417

Database identifiers

CAS: 50636-57-2
PubChem CID: 689073
DTXSID: DTXSID90351033
EC Number: 886-989-7
Nikkaji: J685.150I

Properties

Computed structural properties

XLogP: 2
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

Physicochemical properties

Melting point: 247 · 247-250°C
storage temp.: -20 °C, · -20°C, stored under nitrogen, away from moisture
Appearance: Light yellow to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-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

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, 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 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-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