Basic information
- CAS
1834-27-1- Standard SMILES
Cc1cc(Cl)n[nH]c1=O- InChIKey
VCFUTDUJFGHTKM-UHFFFAOYSA-N- Molecular formula
- C5H5ClN2O
- Average molar mass
- 144.56 g/mol
- Monoisotopic mass
- 144.00904046
Names & identifiers
- Preferred name
- 3(2H)-Pyridazinone, 6-chloro-4-methyl-
- IUPAC
- 3-chloro-5-methyl-1H-pyridazin-6-one
- English name
- 6-chloro-4-methyl-2H-pyridazin-3-one
- Molecular formula
- C5H5ClN2O
- Molecular weight
- 144.56
Names & synonyms
3(2H)-Pyridazinone, 6-chloro-4-methyl-NSC 113474DTXSID40171420RefChem:90547DTXCID10939113(2H)-Pyridazinone, 6-chloro-4-methyl-(9CI)VCFUTDUJFGHTKM-UHFFFAOYSA-N1834-27-16-Chloro-4-methylpyridazin-3(2H)-one6-CHLORO-4-METHYL-2H-PYRIDAZIN-3-ONE6-chloro-4-methylpyridazin-3-ol3-chloro-5-methyl-1H-pyridazin-6-one
Show more names
6-CHLORO-4-METHYL-2H-PYRIDAZIN-3(2H)-ONE6-chloro-4-methyl-2H-pyridazin-3-one ISO 9001:2015 REACH6-Chloro-4-methylpyridazin-3-ol, 6-Chloro-3-hydroxy-4-methyl-1,2-diazine
MFCD136594166-Chloro-4-methyl-3(2H)-pyridazinone6-chloro-4-methyl-2,3-dihydropyridazin-3-one6-Chloro-3-hydroxy-4-methylpyridazine1849390-26-6NSC1134746-Chloro-4-m3(2H)-Pyridazinone, 6-chloro-4-methyl- (9CI)
Database identifiers
- CAS
1834-27-1- PubChem CID
- 164886
- DTXSID
DTXSID40171420- EC Number
- 881-636-3
- Nikkaji
- J1.398.917F
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
- 149 · 149-151 °C
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 9.84 · 9.84±0.60(Predicted)
- Appearance
- White to yellow Solid
- InChI
- InChI=1S/C5H5ClN2O/c1-3-2-4(6)7-8-5(3)9/h2H,1H3,(H,8,9)
- InChIKey
- VCFUTDUJFGHTKM-UHFFFAOYSA-N
- SMILES
- C1(=O)NN=C(Cl)C=C1C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P260-P280
- HS Code
- 2933998090 · 2933998090
Safety & regulation
GHS classification
GHS Classification
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)
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
- H315-H319-H335
- Precautionary statements
- P271-P260-P280
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers56 total
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Related reactions
4 records
Compound notes
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