Cas no 289504-53-6 (1H-Pyrazole-5-carboxaldehyde,4-bromo-1-[(4-chlorophenyl)methyl]-)
4-Bromo-1-[(4-chlorophenyl)methyl]-1H-pyrazole-5-carboxaldehyde is a versatile heterocyclic compound featuring a pyrazole core functionalized with a bromo substituent, a 4-chlorobenzyl group, and an aldehyde moiety. This structure imparts reactivity suitable for further derivatization, making it valuable in synthetic organic chemistry and pharmaceutical research. The bromo and aldehyde groups serve as key sites for cross-coupling and condensation reactions, enabling the construction of complex molecular frameworks. The 4-chlorobenzyl moiety enhances steric and electronic properties, influencing selectivity in subsequent transformations. This compound is particularly useful in the development of biologically active molecules, offering a balance of stability and reactivity for advanced synthetic applications.
![1H-Pyrazole-5-carboxaldehyde,4-bromo-1-[(4-chlorophenyl)methyl]- structure](https://ossimg.kuujia.com/scimg/290000/289504-53-6x500.png)
289504-53-6 structure
Product Name:1H-Pyrazole-5-carboxaldehyde,4-bromo-1-[(4-chlorophenyl)methyl]-
CAS No:289504-53-6
MF:C11H8BrClN2O
MW:299.551020622253
CID:248979
PubChem ID:2735545
Update Time:2025-05-28
1H-Pyrazole-5-carboxaldehyde,4-bromo-1-[(4-chlorophenyl)methyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-5-carboxaldehyde,4-bromo-1-[(4-chlorophenyl)methyl]-
- 4-bromo-2-[(4-chlorophenyl)methyl]pyrazole-3-carbaldehyde
- OR8036
- SCHEMBL4908014
- 4-BROMO-1-(4-CHLOROBENZYL)-1H-PYRAZOLE-5-CARBALDEHYDE
- FT-0617695
- 4-bromo-1-[(4-chlorophenyl)methyl]-1H-pyrazole-5-carbaldehyde
- 289504-53-6
- MRWIPJMPNFCPIL-UHFFFAOYSA-N
- MFCD00103038
- 1H-Pyrazole-5-carboxaldehyde, 4-bromo-1-[(4-chlorophenyl)methyl]-
- MB00674
-
- Inchi： 1S/C11H8BrClN2O/c12-10-5-14-15(11(10)7-16)6-8-1-3-9(13)4-2-8/h1-5,7H,6H2
- InChI Key： MRWIPJMPNFCPIL-UHFFFAOYSA-N
- SMILES： BrC1C=NN(C=1C=O)CC1C=CC(=CC=1)Cl
Computed Properties
- Exact Mass: 297.95100
- Monoisotopic Mass: 297.95085g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 246
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 34.9?2
Experimental Properties
- Density: 1.59
- Melting Point: 115-118
- Boiling Point: 431.7°C at 760 mmHg
- Flash Point: 214.9°C
- Refractive Index: 1.647
- PSA: 34.89000
- LogP: 3.15980
1H-Pyrazole-5-carboxaldehyde,4-bromo-1-[(4-chlorophenyl)methyl]- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Apollo Scientific | OR8036-1g |
4-Bromo-1-(4-chlorobenzyl)-1H-pyrazole-5-carboxaldehyde |
289504-53-6 | 1g |
￡300.00 | 2023-09-01 | ||
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1587858-1g |
4-Bromo-1-(4-chlorobenzyl)-1H-pyrazole-5-carbaldehyde |
289504-53-6 | 98% | 1g |
￥4309.00 | 2024-05-20 |
1H-Pyrazole-5-carboxaldehyde,4-bromo-1-[(4-chlorophenyl)methyl]- Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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5. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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