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86483-43-4 molecular structure
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4,5-dichloro-2-(3,5-dichlorophenyl)-2,3-dihydropyridazin-3-one

ChemBase ID: 79154
Molecular Formular: C10H4Cl4N2O
Molecular Mass: 309.96356
Monoisotopic Mass: 307.90777348
SMILES and InChIs

SMILES:
n1(c2cc(cc(c2)Cl)Cl)c(=O)c(c(cn1)Cl)Cl
Canonical SMILES:
Clc1cc(Cl)cc(c1)n1ncc(c(c1=O)Cl)Cl
InChI:
InChI=1S/C10H4Cl4N2O/c11-5-1-6(12)3-7(2-5)16-10(17)9(14)8(13)4-15-16/h1-4H
InChIKey:
UBKUOBNFCOTJAD-UHFFFAOYSA-N

Cite this record

CBID:79154 http://www.chembase.cn/molecule-79154.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,5-dichloro-2-(3,5-dichlorophenyl)-2,3-dihydropyridazin-3-one
IUPAC Traditional name
4,5-dichloro-2-(3,5-dichlorophenyl)pyridazin-3-one
Synonyms
4,5-dichloro-2-(3,5-dichlorophenyl)-2,3-dihydropyridazin-3-one
4,5-Dichloro-2-(3,5-dichlorophenyl)-3(2H)-pyridazinone
4,5-二氯-2-(3,5-二氯苯基)-3(2H)-哒嗪酮
CAS Number
86483-43-4
MDL Number
MFCD00067796
PubChem SID
162043917
PubChem CID
2774756

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2774756 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.8583224  LogD (pH = 7.4) 3.8583224 
Log P 3.8583224  Molar Refractivity 69.8274 cm3
Polarizability 26.307873 Å3 Polar Surface Area 32.67 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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