1-benzyl-3-(4-chlorophenyl)-1H-pyrazole-4-carbaldehyde
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Basic information
- CAS
956373-98-1- Standard SMILES
O=Cc1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1- InChIKey
ZXIUTKHOQURDOG-UHFFFAOYSA-N- Molecular formula
- C17H13ClN2O
- Average molar mass
- 296.7 g/mol
- Monoisotopic mass
- 296.0716407
Names & identifiers
- Preferred name
- 1-benzyl-3-(4-chlorophenyl)-1H-pyrazole-4-carbaldehyde
- IUPAC
- 1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbaldehyde
- English name
- 1-BENZYL-3-(4-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE
- Molecular formula
- C17H13ClN2O
- Molecular weight
- 296.75
Names & synonyms
1-benzyl-3-(4-chlorophenyl)-1H-pyrazole-4-carbaldehyde956373-98-1RefChem:429833979-354-11-benzyl-3-(4-chlorophenyl)pyrazole-4-carbaldehydeMFCD06380388AKOS001101271SY144338CS-0224754EN300-12070G19032AB00730734-01
Show more names
3-(4-Chlorophenyl)-1-(benzyl)-1H-pyrazol-4-carbaldehyde3-(4-Chlorophenyl)-1-(phenylmethyl)-1H-pyrazole-4-carboxaldehyde1H-Pyrazole-4-carboxaldehyde, 3-(4-chlorophenyl)-1-(phenylmethyl)-
F646821Z57986672
Database identifiers
- CAS
956373-98-1- PubChem CID
- 2468232
- EC Number
- 979-354-1
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- 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
- 338
Physicochemical properties
- Boiling point
- 493.5 · 493.5±45.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- -1 · -1.00±0.10(Predicted)
- Appearance
- Off-white to light yellow Solid
- 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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