4-amino-5-chloro-2-phenylpyridazin-3(2H)-one

HCID 613445
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Basic information

CAS
1698-61-9
Standard SMILES
Nc1c(Cl)cnn(-c2ccccc2)c1=O
InChIKey
HAKJEHJYRKVCIU-UHFFFAOYSA-N
Molecular formula
C10H8ClN3O
Average molar mass
221.64 g/mol
Monoisotopic mass
221.03558956

Names & identifiers

Preferred name
4-amino-5-chloro-2-phenylpyridazin-3(2H)-one
IUPAC
4-amino-5-chloro-2-phenylpyridazin-3-one
English name
4-AMINO-5-CHLORO-2-PHENYL-2H-PYRIDAZIN-3-ONE
Molecular formula
C10H8ClN3O
Molecular weight
221.64

Names & synonyms

1698-61-94-amino-5-chloro-2-phenylpyridazin-3(2H)-one4-amino-5-chloro-2-phenylpyridazin-3-one4-AMINO-5-CHLORO-2-PHENYL-2H-PYRIDAZIN-3-ONEISO-CHLORIDAZON3(2H)-Pyridazinone, 4-amino-5-chloro-2-phenyl-4-Amino-5-chloro-2-phenyl-3(2H)-pyridazinoneCambridge id 5352865Oprea1_706991MLS001178701SCHEMBL3984192CHEMBL1887672
Show more names
iso-Chloridazon 100 μg/ml Acetonitrileiso-Chloridazon 10 μg/ml Ethyl acetateiso-Chloridazon 100 μg/ml Ethyl acetateiso-Chloridazon 10 μg/mL in Ethyl acetate
DTXSID30346584HMS1581B14HMS2788B12SB34190SMR000475864DB-064757iso-Chloridazon 10 |Ig/mL in Ethyl acetateNS00004664

Database identifiers

CAS
1698-61-9
PubChem CID
613445
DTXSID
DTXSID30346584
ChEMBL
CHEMBL1887672
Nikkaji
J2.912.986J

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
58.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
15

Experimental & physicochemical properties

Solubility29.2 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point
142 · 142.0-143.5 °C
Boiling point
312.2 · 312.2±52.0 °C(Predicted)
Density
1.42 · 1.42±0.1 g/cm3(Predicted)
pka
0.85 · 0.85±0.20(Predicted)

Chemistry & industry

Applications

Uses4-Amino-5-chloro-2-phenylpyridazin-3-one is a biologically non-active pyrazon isomer.

Suppliers11 total

郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
成都优硕生物科技有限公司13693449011 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
南京凯姆铂医药科技有限公司025-66162170

Related reactions

1 records
New reaction record

Compound notes

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