Basic information
- CAS
117-23-7- Standard SMILES
CC1=NN(c2c(C)cccc2Cl)C(=O)C1- InChIKey
PEHCLPGYMNFIOV-UHFFFAOYSA-N- Molecular formula
- C11H11ClN2O
- Average molar mass
- 222.67 g/mol
- Monoisotopic mass
- 222.0559907
Names & identifiers
- Preferred name
- 3H-Pyrazol-3-one, 2-(2-chloro-6-methylphenyl)-2,4-dihydro-5-methyl-
- IUPAC
- 2-(2-chloro-6-methylphenyl)-5-methyl-4H-pyrazol-3-one
- English name
- 2-(2-chloro-6-methylphenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one
- Molecular formula
- C11H11ClN2O
- Molecular weight
- 222.67
Names & synonyms
2-(2-Chloro-6-methylphenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-oneEINECS 204-181-93H-Pyrazol-3-one, 2-(2-chloro-6-methylphenyl)-2,4-dihydro-5-methyl-DTXSID5059450RefChem:95821DTXCID4033396204-181-9117-23-71-(2-Chloro-6-methylphenyl)-3-methyl-1H-pyrazol-5(4H)-one2-(2-chloro-6-methylphenyl)-5-methyl-4H-pyrazol-3-onePEHCLPGYMNFIOV-UHFFFAOYSA-N2-(2-chloro-6-methylphenyl)-5-methyl-2,4-dihydro-3h-pyrazol-3-one
Show more names
SCHEMBL19333883NS00023779
Database identifiers
- CAS
117-23-7- PubChem CID
- 67016
- DTXSID
DTXSID5059450- EC Number
- 204-181-9
- Nikkaji
- J193.618B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Boiling point
- 373.7 · 373.7±35.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 2.06 · 2.06±0.50(Predicted)
- EPA Substance Registry System
- 3 H-Pyrazol-3-one, · 3H-Pyrazol-3-one, 2-(2-chloro-6-methylphenyl)-2,4-dihydro-5-methyl- (117-23-7)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3H-Pyrazol-3-one, 2-(2-chloro-6-methylphenyl)-2,4-dihydro-5-methyl-: INACTIVE
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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