1-Phenyl-3-p-tolyl-1h-pyrazole-4-carbaldehyde
Basic information
- CAS
36640-52-5- Standard SMILES
Cc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1- InChIKey
PUUGVPPTLNTKIM-UHFFFAOYSA-N- Molecular formula
- C17H14N2O
- Average molar mass
- 262.3 g/mol
- Monoisotopic mass
- 262.11061307
Names & identifiers
- Preferred name
- 1-Phenyl-3-p-tolyl-1h-pyrazole-4-carbaldehyde
- IUPAC
- 3-(4-methylphenyl)-1-phenylpyrazole-4-carbaldehyde
- English name
- 1-Phenyl-3-p-tolyl-1H-pyrazole-4-carbaldehyde
- Molecular formula
- C17H14N2O
- Molecular weight
- 262.31
Names & synonyms
36640-52-51-phenyl-3-p-tolyl-1h-pyrazole-4-carbaldehydeDTXSID10351070RefChem:233162DTXCID003021373-(4-methylphenyl)-1-phenylpyrazole-4-carbaldehyde3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde1-phenyl-3-(p-tolyl)-1H-pyrazole-4-carbaldehydeMFCD00744772Cambridge id 5402218SCHEMBL11254624SBB004444
Show more names
1-phenyl-3-p-toluene-1H-pyrazole-4-carbaldehyde3-(4-Methylphenyl)-1-phenylpyrazol-4-carbaldehyde1-Phenyl-3-(p-tolyl)-1H-pyrazole-4-carboxaldehyde1H-Pyrazole-4-carboxaldehyde, 3-(4-methylphenyl)-1-phenyl-
STK725059AKOS000115234NS-04081SY132089ST4010638CS-0061303P26571-phenyl-3-(p-tolyl)pyrazole-4-carbaldehyde
Database identifiers
- CAS
36640-52-5- PubChem CID
- 689801
- DTXSID
DTXSID10351070- Nikkaji
- J2.060.483B
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Melting point
- 119 °C · 119 °C
- Boiling point
- 450 · 450.0±33.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- -2.75 · -2.75±0.10(Predicted)
- form
- powder to crystal
- color
- White to Orange to Green
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HS Code
- 2933.19 · 2933.19.9000
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
- 2933.19.9000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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