Cas no 27006-76-4 (5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde)
5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde Chemical and Physical Properties
Names and Identifiers
-
- 5-Chloro-1,3-dimethyl-1H-pyrazole-4-carboxaldehyde
- 5-Chloro-1,3-dimethylpyrazole-4-carboxaldehyde
- 5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde
- 5-chloro-1,3-dimethylpyrazole-4-carbaldehyde
- 5-Chloro-1,3-dimethyl pyrazole-4-aldehyde
- 5-chloro-1,3-dimethyl-1H-pyrazol-4-carbaldehyde oxime
- 5-chloro-1,3-dimethyl-1h-pyrazole-4-aldehyde
- 5-Chloro-4-formyl-1,3-dimethylpyrazole
- Pyrazole-4-carboxaldehyde,5-chloro-1,3-dimethyl- (8CI)
- 1,3-Dimethyl-5-chloropyrazole-4-carboxaldehyde
- 5-Chloro-1,3-dimethyl-1H-pyrazol-4-aldehyde
- 5-Chloro-1,3-dimethyl-4-formylpyrazole
- 1H-Pyrazole-4-carboxaldehyde, 5-chloro-1,3-dimethyl-
- PubChem23629
- KSC496S9T
- SZRSMNYUEXXEBL-UHFFFAOYSA-N
- STL280193
- SBB0055
- DTXSID90380505
- SY032397
- AM20090335
- 1,3-dimethyl-5-chloropyrazole-4-carbaldehyde
- J-517240
- FT-0620200
- BP-10318
- A5284
- 5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde, AldrichCPR
- CS-W008283
- EN300-25759
- Z217291800
- BB 0304060
- AKOS001320753
- AB02196
- NCGC00338026-01
- 1,3-dimethyl-5-chloropyrazole-4-aldehyde
- SCHEMBL766122
- AC-28098
- MFCD00052538
- C2747
- 11F-419S
- AB01330178-02
- 27006-76-4
- DB-011425
-
- MDL: MFCD00052538
- Inchi: 1S/C6H7ClN2O/c1-4-5(3-10)6(7)9(2)8-4/h3H,1-2H3
- InChI Key: SZRSMNYUEXXEBL-UHFFFAOYSA-N
- SMILES: ClC1=C(C=O)C(C)=NN1C
Computed Properties
- Exact Mass: 158.02500
- Monoisotopic Mass: 158.0246905 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 142
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.1
- Molecular Weight: 158.58
- Topological Polar Surface Area: 34.9
Experimental Properties
- Color/Form: Not determined
- Density: 1.31
- Melting Point: 77.0 to 80.0 deg-C
- Boiling Point: 255.7℃ at 760 mmHg
- Flash Point: 108.4 °C
- Refractive Index: 1.571
- PSA: 34.89000
- LogP: 1.19440
- Solubility: Not determined
5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H315,H319,H335
-
Warning Statement:
P261,P305
P351
P338,P302
P352,P321,P405,P501A - Hazardous Material transportation number:2811
- Hazard Category Code: R22;R36/37/38
- Safety Instruction: S26-S37/39-S36/37/39-S22
-
Hazardous Material Identification:
- Safety Term:S22;S26;S36/37/39
- HazardClass:IRRITANT
- Storage Condition:Store long-term at 2-8°C
- Risk Phrases:R22; R36/37/38
5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde Customs Data
- HS CODE:2933199090
- Customs Data:
China Customs Code:
2933199090Overview:
2933199090. Other structurally non fused pyrazole ring compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A049003247-25g |
5-Chloro-1,3-dimethyl-1H-pyrazole-4-carboxaldehyde |
27006-76-4 | 98% | 25g |
$152.00 | 2023-09-02 | |
| Alichem | A049003247-100g |
5-Chloro-1,3-dimethyl-1H-pyrazole-4-carboxaldehyde |
27006-76-4 | 98% | 100g |
$495.00 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C123181-1g |
5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde |
27006-76-4 | 95% | 1g |
¥59.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C123181-25g |
5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde |
27006-76-4 | 95% | 25g |
¥799.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C123181-5g |
5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde |
27006-76-4 | 95% | 5g |
¥199.90 | 2023-09-03 | |
| TRC | C584783-10mg |
5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde |
27006-76-4 | 10mg |
$ 50.00 | 2022-06-06 | ||
| TRC | C584783-50mg |
5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde |
27006-76-4 | 50mg |
$ 65.00 | 2022-06-06 | ||
| TRC | C584783-100mg |
5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde |
27006-76-4 | 100mg |
$ 80.00 | 2022-06-06 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | C806140-5g |
5-Chloro-1,3-dimethyl-1H-pyrazole-4-carboxaldehyde |
27006-76-4 | 95% | 5g |
292.50 | 2021-05-17 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | A-JO046-200mg |
5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde |
27006-76-4 | 97% | 200mg |
56.0CNY | 2021-08-06 |
5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde Suppliers
5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde Related Literature
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Balakrishnan Sankar,Muniyasamy Harikrishnan,Ranganathan Raja,Velu Sadhasivam,Nelson Malini,Sepperumal Murugesan,Ayyanar Siva New J. Chem. 2019 43 10458
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Jian Jiao,An Wang,Min Chen,Meng-Qi Wang,Chun-Long Yang New J. Chem. 2019 43 6350
Additional information on 5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde
5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde: A Comprehensive Overview
The compound with CAS No. 27006-76-4, commonly referred to as 5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde, is a significant molecule in the field of organic chemistry and pharmaceutical research. This compound belongs to the class of pyrazole derivatives, which have gained considerable attention due to their diverse biological activities and potential applications in drug discovery. The structure of 5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde consists of a pyrazole ring substituted with a chlorine atom at position 5, methyl groups at positions 1 and 3, and a carbaldehyde group at position 4. This unique substitution pattern contributes to its distinct chemical properties and biological functions.
Recent studies have highlighted the importance of pyrazole derivatives in medicinal chemistry, particularly in the development of antifungal, anti-inflammatory, and anticancer agents. The 5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde molecule has been explored for its potential as a lead compound in these therapeutic areas. Researchers have reported that the chlorine substitution at position 5 enhances the molecule's stability and bioavailability, making it a promising candidate for further investigation.
The synthesis of 5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde involves a multi-step process that typically begins with the preparation of the pyrazole ring followed by functionalization at specific positions. Recent advancements in synthetic methodologies have enabled chemists to optimize the synthesis pathway, improving yield and purity. For instance, the use of microwave-assisted synthesis has been shown to significantly reduce reaction time while maintaining high product quality.
In terms of biological activity, 5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde has demonstrated potent antifungal properties against various fungal strains, including Candida species. This activity is attributed to its ability to inhibit key enzymes involved in fungal metabolism. Additionally, preliminary studies suggest that this compound may exhibit anti-inflammatory effects by modulating pro-inflammatory cytokines. These findings underscore its potential as a versatile therapeutic agent.
One of the most intriguing aspects of 5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde is its ability to serve as a scaffold for further structural modifications. By altering substituents on the pyrazole ring or modifying the carbaldehyde group, researchers can explore a wide range of biological activities and optimize pharmacokinetic properties such as solubility and permeability.
Recent research has also focused on the computational modeling of 5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde to predict its interactions with target proteins. Molecular docking studies have revealed that this compound exhibits strong binding affinity to certain receptors associated with cancer and inflammation. These insights provide a foundation for designing more potent derivatives with enhanced therapeutic efficacy.
In conclusion, 5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde represents a valuable molecule in contemporary chemical research due to its unique structure and diverse biological activities. Its potential applications span across various therapeutic areas, making it an attractive target for further exploration and development.
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