5-Chloropyridazin-3(2H)-one

HCID 19905718CAS 660425-07-0

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Basic information

Standard SMILES: O=c1cc(Cl)cn[nH]1
InChIKey: NHMLZGFOEYLZEN-UHFFFAOYSA-N
Molecular formula: C4H3ClN2O
Average molar mass: 130.53 g/mol
Monoisotopic mass: 129.9933904

Names & identifiers

Preferred name: 5-Chloropyridazin-3(2H)-one
IUPAC: 4-chloro-1H-pyridazin-6-one
English name: 5-Chloropyridazin-3-ol
Molecular formula: C4H3ClN2O
Molecular weight: 130.53

Names & synonyms

660425-07-05-chloropyridazin-3(2H)-oneDTXSID60601178RefChem:302672DTXCID90551935692-073-65-Chloropyridazin-3-(2H)-one5-CHLOROPYRIDAZIN-3-OL4-chloro-1H-pyridazin-6-one3(2H)-Pyridazinone, 5-chloro-MFCD12198134866430-10-6

Show more names

5-CHLOR-3-PYRIDAZINON5-CHLOROPYRIDAZIN-3-OL ISO 9001：2015 REACH

5-chloro-2H-pyridazin-3-one5-chloropyridazin-3-one5-Chloro-pyridazin-3-one5-chloropyridazin-3(2H)oneSCHEMBL3884225-Chloro-3(2H)-pyridazinone5-chloropyridazine-3(2H)-oneorb3029706

Database identifiers

CAS: 660425-07-0
PubChem CID: 19905718
DTXSID: DTXSID60601178
ChEBI: CHEBI:194650
EC Number: 692-073-6
Nikkaji: J2.392.380G

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 41.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 173

Physicochemical properties

Density: 1.55 · 1.55
storage temp.: 2 · 2-8°C
pka: 10.06 · 10.06±0.40(Predicted)
Appearance: Off-white to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 22 · 22-26-36/37/39
HS Code: 2933998090 · 2933998090

Safety & regulation

Safety data

hs_code: 2933998090
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 22-26-36/37/39
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses5-Chloropyridazin-3(2H)-one is used in preparation of 1,5,6,7-tetrahydro-4H-pyrazolo[4,3-c]pyridin-4-one compounds as GPR52 modulator compounds.