1-(4'-Chlorophenyl)-4-formyl-5-hydroxy-3-methylpyrazole
Basic information
- CAS
5635-98-3- Standard SMILES
Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=O- InChIKey
FGRBYGVYISHUBC-UHFFFAOYSA-N- Molecular formula
- C11H9ClN2O2
- Average molar mass
- 236.65 g/mol
- Monoisotopic mass
- 236.0352552
Names & identifiers
- Preferred name
- 1-(4'-Chlorophenyl)-4-formyl-5-hydroxy-3-methylpyrazole
- IUPAC
- 2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazole-4-carbaldehyde
- English name
- 2-Methoxy-methylphenol
- Molecular formula
- C8H10O2
- Molecular weight
- 138.16
Names & synonyms
1186372-63-31-(4'-chlorophenyl)-4-formyl-5-hydroxy-3-methylpyrazole1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazole-4-carbaldehydeST509957382-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazole-4-carbaldehydeSCHEMBL11563116SCHEMBL11685795DTXSID00357960HMS1583G13AKOS000442856AB00091427-01AG-205/40052874
Show more names
2-Methoxy-methylphenol
SR-01000215537SR-01000215537-11-(4-chlorophenyl)-4-(hydroxymethylene)-3-methyl-1,2-diazolin-5-one2-(4-chlorophenyl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carbaldehyde2-(4-chlorophenyl)-4-(hydroxymethylene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
5635-98-3- PubChem CID
- 872869
- DTXSID
DTXSID00357960- Nikkaji
- J3.257.007K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Boiling point
- 55 °C · 55 °C(Press: 0.46 Torr)
- Density
- 1.087 · 1.087±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 9.77 · 9.77±0.35(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2909500090 · 2909500090
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
- hs_code
- 2909500090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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