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1,3-bis(4-chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazole , CAS No.7245-52-5
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Storage
Room temperature
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Storage
Room temperature
Names and Identifiers
| Canonical Smiles | C1C(N(N=C1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C4=CC=CC=C4 |
|---|---|
| IUPAC Name | 2,5-bis(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole |
| InChIKey | ATBNZHRYPXMCQZ-UHFFFAOYSA-N |
| INCHI | 1S/C21H16Cl2N2/c22-17-8-6-15(7-9-17)20-14-21(16-4-2-1-3-5-16)25(24-20)19-12-10-18(23)11-13-19/h1-13,21H,14H2 |
| Isomeric SMILES | C1C(N(N=C1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C4=CC=CC=C4 |
| PubChem CID | 3143745 |
| Molecular Weight | 367.28 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrazoles |
| Alternative Parents | Chlorobenzenes Aryl chlorides Pyrazolines Hydrazones Azacyclic compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpyrazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrazoline - Hydrazone - Azacycle - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group. |
| External Descriptors | Not available |
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 367.300 g/mol |
|---|---|
| XLogP3 | 6.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 366.069 Da |
| Monoisotopic Mass | 366.069 Da |
| Topological Polar Surface Area | 15.600 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 459.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
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