3-(4-ethylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
Basic information
- CAS
371917-96-3- Standard SMILES
CCc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1- InChIKey
WABADUUMYKALPQ-UHFFFAOYSA-N- Molecular formula
- C18H16N2O
- Average molar mass
- 276.3 g/mol
- Monoisotopic mass
- 276.12626314
Names & identifiers
- Preferred name
- 3-(4-ethylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
- IUPAC
- 3-(4-ethylphenyl)-1-phenylpyrazole-4-carbaldehyde
- English name
- 1H-Pyrazole-4-carboxaldehyde, 3-(4-ethylphenyl)-1-phenyl-
- Molecular formula
- C18H16N2O
- Molecular weight
- 276.33
Names & synonyms
3-(4-ethylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde371917-96-3RefChem:493004998-691-53-(4-ethylphenyl)-1-phenylpyrazole-4-carbaldehydeWPA91796AKOS008966560CS-0221534EN300-09394G301853-(4-ethylphenyl)-1-phenyl-pyrazole-4-carbaldehydeZ56787300
Show more names
1H-Pyrazole-4-carboxaldehyde, 3-(4-ethylphenyl)-1-phenyl-
Database identifiers
- CAS
371917-96-3- PubChem CID
- 876863
- EC Number
- 998-691-5
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- Boiling point
- 457.3 · 457.3±40.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- pka
- -2.84 · -2.84±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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