5-(4-Iodophenyl)-1,3-diphenyl-4,5-dihydro-1h-pyrazole
Basic information
- CAS
3600-52-0- Standard SMILES
Ic1ccc(C2CC(c3ccccc3)=NN2c2ccccc2)cc1- InChIKey
RPXUDQBYDNFSHT-UHFFFAOYSA-N- Molecular formula
- C21H17IN2
- Average molar mass
- 424.3 g/mol
- Monoisotopic mass
- 424.04365
Overview
See also: 1,3-Diphenyl-5-(4-iodophenyl)-2-pyrazoline (annotation moved to).
Names & identifiers
- Preferred name
- 5-(4-Iodophenyl)-1,3-diphenyl-4,5-dihydro-1h-pyrazole
- IUPAC
- 3-(4-iodophenyl)-2,5-diphenyl-3,4-dihydropyrazole
- English name
- 1,3-Diphenyl-5-(4-iodophenyl)-2-pyrazoline
- Molecular formula
- C21H17IN2
- Molecular weight
- 424.28
Names & synonyms
5-(4-iodophenyl)-1,3-diphenyl-4,5-dihydro-1h-pyrazole3600-52-03-(4-iodophenyl)-2,5-diphenyl-3,4-dihydropyrazoleNSC142149SCHEMBL326811161H-Pyrazole,4,5-dihydro-5-(4-iodophenyl)-1,3-diphenyl-DTXSID90301270AKOS024430857NSC-142149DS-0029921,3-Diphenyl-5-(4-iodophenyl)-2-pyrazoline1H-Pyrazole, 4,5-dihydro-5-(4-iodophenyl)-1,3-diphenyl-
Database identifiers
- CAS
3600-52-0- PubChem CID
- 285305
- DTXSID
DTXSID90301270
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 15.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 429
Physicochemical properties
- Melting point
- 156 · 156-157 °C
- Boiling point
- 503.7 · 503.7±60.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- -0.23 · -0.23±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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