3(2H)-Pyridazinone, 4,5-dibromo-2-phenyl-
Basic information
- CAS
14305-08-9- Standard SMILES
O=c1c(Br)c(Br)cnn1-c1ccccc1- InChIKey
NQJXEMRMTOSSBQ-UHFFFAOYSA-N- Molecular formula
- C10H6Br2N2O
- Average molar mass
- 329.97 g/mol
- Monoisotopic mass
- 327.88469
Names & identifiers
- Preferred name
- 3(2H)-Pyridazinone, 4,5-dibromo-2-phenyl-
- IUPAC
- 4,5-dibromo-2-phenylpyridazin-3-one
- English name
- 4,5-Dibromo-2-phenyl-2,3-dihydropyridazin-3-one
- Molecular formula
- C10H6Br2N2O
- Molecular weight
- 329.98
Names & synonyms
14305-08-94,5-dibromo-2-phenyl-2,3-dihydropyridazin-3-one4,5-Dibromo-2-phenyl-3(2H)-pyridazinone3(2H)-Pyridazinone, 4,5-dibromo-2-phenyl-BRN 0177515DTXSID601622994-24-00-00169 (Beilstein Handbook Reference)RefChem:484772DTXCID3084790867-609-94,5-Dibromo-2-phenylpyridazin-3(2H)-one4,5-dibromo-2-phenylpyridazin-3-one
Show more names
BUTTPARK 154\16-224,5-Dibromo-2-phenylpyridazin-3(2H)4,5-dibromo-2-phenyl-3-pyridazinone4,5-dibromo-2-phenyl-3(2h)-pyridazinon4,5-DIBROMO-2-PHENYLPYRIDAZINE-3(2H)-ONE
MFCD000529074,5-Dibromo-2-phenyl-2H-pyridazin-3-one4,5-dibromo-2-phenyl-pyridazin-3-oneMLS000720563SMR0003363174,5-dibromo-2-phenyl-2-hydropyridazin-3-onecid_203396SCHEMBL4743412
Database identifiers
- CAS
14305-08-9- PubChem CID
- 203396
- DTXSID
DTXSID60162299- ChEMBL
CHEMBL1465040- EC Number
- 867-609-9
- Nikkaji
- J2.389.623K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Appearance
- Yellow to brown Solid
- InChI
- InChI=1S/C10H6Br2N2O/c11-8-6-13-14(10(15)9(8)12)7-4-2-1-3-5-7/h1-6H
- InChIKey
- NQJXEMRMTOSSBQ-UHFFFAOYSA-N
- SMILES
- C1(=O)N(C2=CC=CC=C2)N=CC(Br)=C1Br
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2933998090 · 2933998090
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
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%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses4,5-Dibromo-2-phenylpyridazin-3(2H)-one (cas# 14305-08-9) is a useful research chemical.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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