CAS 36725-37-8 6-(4-Bromophenyl)-4,5-dihydropyridazin-3(2H)-one (HCID 689108)

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Basic information

CAS: 36725-37-8
Standard SMILES: O=C1CCC(c2ccc(Br)cc2)=NN1
InChIKey: CDDNLMGOLYMTSF-UHFFFAOYSA-N
Molecular formula: C10H9BrN2O
Average molar mass: 253.09 g/mol
Monoisotopic mass: 251.98982501

Names & identifiers

Preferred name: 6-(4-Bromophenyl)-4,5-dihydropyridazin-3(2H)-one
IUPAC: 3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one
English name: 6-(4-Bromophenyl)-4 5-dihydro-2H-pyrida&
Molecular formula: C10H9BrN2O
Molecular weight: 253.1

Names & synonyms

36725-37-86-(4-bromophenyl)-4,5-dihydropyridazin-3(2h)-oneDTXSID70351051RefChem:1073694DTXCID603021186-(4-Bromophenyl)-4,5-dihydro-2H-pyridazin-3-one6-(4-bromophenyl)-2,3,4,5-tetrahydropyridazin-3-one3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-oneMFCD002034906-(4-Bromophenyl)-4,5-dihydro-3(2H)-pyridazinone6-(4-Bromo-phenyl)-4,5-dihydro-2H-pyridazin-3-one6-(4-bromophenyl)-2,4,5-trihydropyridazin-3-one

Show more names

6-(4-Bromophenyl)-4 5-dihydro-2H-pyrida&3(2H)-Pyridazinone, 6-(4-bromophenyl)-4,5-dihydro-JRH-07004, 6-(4-Bromophenyl)-4,5-dihydropyridazin-3(2H)-one, 97%

SCHEMBL927560CDDNLMGOLYMTSF-UHFFFAOYSA-NHMS1661D11HMS3446O12LBA72537SBB079238AKOS001370002CCG-139876

Database identifiers

CAS: 36725-37-8
PubChem CID: 689108

Properties

Computed structural properties

XLogP: 1.6
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: 257

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical structure

Physicochemical properties

Melting point: 167 · 167-171 °C(lit.)
InChI: 1S/C10H9BrN2O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-4H,5-6H2,(H,13,14)
InChIKey: CDDNLMGOLYMTSF-UHFFFAOYSA-N
SMILES: Brc1ccc(cc1)C2=NNC(=O)CC2
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Danger
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
PPE: 95 · Eyeshields, Gloves, type N95 (US)
WGK Germany: 3 · 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.