6-Chloro-5-methylpyridazin-3(2H)-one
Basic information
- CAS
1703-07-7- Standard SMILES
Cc1cc(=O)[nH]nc1Cl- InChIKey
UGDOVAWXAHZLEV-UHFFFAOYSA-N- Molecular formula
- C5H5ClN2O
- Average molar mass
- 144.56 g/mol
- Monoisotopic mass
- 144.0090405
Names & identifiers
- Preferred name
- 6-Chloro-5-methylpyridazin-3(2H)-one
- IUPAC
- 3-chloro-4-methyl-1H-pyridazin-6-one
- English name
- 6-chloro-5-methyl-2H-pyridazin-3-one
- Molecular formula
- C5H5ClN2O
- Molecular weight
- 144.56
Names & synonyms
6-chloro-5-methylpyridazin-3(2h)-oneRefChem:541796851-705-21703-07-76-CHLORO-5-METHYL-2H-PYRIDAZIN-3-ONE6-Chloro-5-methylpyridazin-3-ol3-chloro-4-methyl-1H-pyridazin-6-one3(2H)-Pyridazinone, 6-chloro-5-methyl-6-Chloro-5-methyl-3(2H)-pyridazinoneMFCD049714271822677-94-06-Chloro-3-hydroxy-5-methylpyridazine
Show more names
1370156-chloro-5-methylpyridazine-3-one6-Chloro-3-hydroxy-5-methylpyridazine 97%6-Chloro-5-methylpyridazin-3-ol, 6-Chloro-3-hydroxy-5-methyl-1,2-diazine
6-chloro-5-methyl-2,3-dihydropyridazin-3-one6-chloro-5-meSCHEMBL957290SCHEMBL14123454SCHEMBL23633134DTXSID10168827GEO-04843MFCD11043651
Database identifiers
- CAS
1703-07-7- PubChem CID
- 164871
- DTXSID
DTXSID10168827- EC Number
- 851-705-2
- Nikkaji
- J1.396.145J
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Melting point
- 225 °C · 225 °C(Solv: water (7732-18-5))
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 9.83 · 9.83±0.60(Predicted)
- Appearance
- White to light yellow Solid
- InChI
- InChI=1S/C5H5ClN2O/c1-3-2-4(9)7-8-5(3)6/h2H,1H3,(H,7,9)
- InChIKey
- UGDOVAWXAHZLEV-UHFFFAOYSA-N
- SMILES
- C1(=O)NN=C(Cl)C(C)=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H335-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- 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.
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319-H335-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
1 records
Compound notes
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