Cas no 623-27-8 (Terephthaldicarboxaldehyde)
Terephthaldicarboxaldehyde Chemical and Physical Properties
Names and Identifiers
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- Terephthalaldehyde
- Benzene-1,4-dicarboxaldehyde
- Terephthaldicarbo
- p-Phthalaldehdye
- p-Phthaldialdehyde
- P-phthalaldehyde
- 1,4-Benzenedicarboxaldehyde
- 1,4-Phthalaldehyde
- Terephthaldicarboxaldehyde
- terephthalic aldehyde
- 1,4-Dialdehydobenzene
- 1,4-DiforMylbenzene
- Benzene-1,4-dialdehyde
- -phthalaldehyde
- Terephthaldialdehyde
- Terephthaldicarboxaldehyde
- TPA
- 對苯二甲醛
- 1,4-Phthalaldehyde,98%
-
- MDL: MFCD00006949
- Inchi: 1S/C8H6O2/c9-5-7-1-2-8(6-10)4-3-7/h1-6H
- InChI Key: KUCOHFSKRZZVRO-UHFFFAOYSA-N
- SMILES: O=CC1=CC=C(C=O)C=C1
- BRN: 385863
Computed Properties
- Exact Mass: 134.03700
- Monoisotopic Mass: 134.037
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 107
- 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
- Topological Polar Surface Area: 34.1A^2
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
Experimental Properties
- Color/Form: Slightly white lens powder.
- Density: 1.060(lit.)
- Melting Point: 114-116?°C (lit.)
- Boiling Point: 245-248?°C(lit.)
- Flash Point: Fahrenheit: 168.8 ° f < br / > Celsius: 76 ° C < br / >
- Refractive Index: 1.4800 (estimate)
- Solubility: 3g/l
- Water Partition Coefficient: 3 g/L (50 oC)
- PSA: 34.14000
- LogP: 1.31160
- Solubility: Slightly soluble in water.
- Sensitiveness: Air Sensitive
Terephthaldicarboxaldehyde Security Information
- Signal Word:Warning
- Hazard Statement: H315-H319-H335
- Warning Statement: P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:1
- Hazard Category Code: S24/25:Prevent skin and eye contact.
- Safety Instruction: S22-S24/25
- RTECS:WZ0430000
-
Hazardous Material Identification:
- Risk Phrases:R36/37/38
- Safety Term:S24/25
- TSCA:Yes
- Storage Condition:Inert atmosphere,2-8°C
Terephthaldicarboxaldehyde Customs Data
- HS CODE:2912299000
- Customs Data:
China Customs Code:
2912299000Overview:
2912299000. Other cyclic aldehydes without other oxygen-containing groups. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Appearance of tetraformaldehyde
Summary:
2912299000. other cyclic aldehydes without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%
Terephthaldicarboxaldehyde Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 169900-25g |
Terephthalaldehyde |
623-27-8 | 90% | 25g |
£13.00 | 2022-02-28 | |
| Fluorochem | 169900-100g |
Terephthalaldehyde |
623-27-8 | 90% | 100g |
£36.00 | 2022-02-28 | |
| Fluorochem | 169900-500g |
Terephthalaldehyde |
623-27-8 | 90% | 500g |
£143.00 | 2022-02-28 | |
| Alichem | A019149997-1000g |
Terephthalaldehyde |
623-27-8 | 97% | 1000g |
$150.00 | 2023-09-01 | |
| SHANG HAI XIANG HUI YI YAO Technology Co., Ltd. | CB12714-100g |
Terephthaldicarboxaldehyde |
623-27-8 | 97% | 100g |
68.00 | 2021-07-09 | |
| SHANG HAI XIANG HUI YI YAO Technology Co., Ltd. | CB12714-500g |
Terephthaldicarboxaldehyde |
623-27-8 | 97% | 500g |
225.00 | 2021-07-09 | |
| SHANG HAI XIANG HUI YI YAO Technology Co., Ltd. | CB12714-1000g |
Terephthaldicarboxaldehyde |
623-27-8 | 97% | 1000g |
373.00 | 2021-07-09 | |
| TRC | T111000-5g |
Terephthalaldehyde |
623-27-8 | 5g |
$ 58.00 | 2023-09-06 | ||
| TRC | T111000-100g |
Terephthalaldehyde |
623-27-8 | 100g |
$75.00 | 2023-05-17 | ||
| TRC | T111000-250g |
Terephthalaldehyde |
623-27-8 | 250g |
$161.00 | 2023-05-17 |
Terephthaldicarboxaldehyde Suppliers
Terephthaldicarboxaldehyde Related Literature
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Himanshi Bhambri,Sadhika Khullar,Sakshi,Sanjay K. Mandal Mater. Adv. 2022 3 19
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Shadpour Mallakpour,Elham Azadi,Chaudhery Mustansar Hussain New J. Chem. 2021 45 7014
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3. A study of contemporary progress relating to COF materials for CO2 capture and fixation reactionsRobius Sani,Tusar Kanto Dey,Mainak Sarkar,Priyanka Basu,Sk. Manirul Islam Mater. Adv. 2022 3 5575
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4. A study of contemporary progress relating to COF materials for CO2 capture and fixation reactionsRobius Sani,Tusar Kanto Dey,Mainak Sarkar,Priyanka Basu,Sk. Manirul Islam Mater. Adv. 2022 3 5575
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S. M. J. Rogge,A. Bavykina,J. Hajek,H. Garcia,A. I. Olivos-Suarez,A. Sepúlveda-Escribano,A. Vimont,G. Clet,P. Bazin,F. Kapteijn,M. Daturi,E. V. Ramos-Fernandez,F. X. Llabrés i Xamena,V. Van Speybroeck,J. Gascon Chem. Soc. Rev. 2017 46 3134
Additional information on Terephthaldicarboxaldehyde
Introduction to Terephthaldicarboxaldehyde (CAS No. 623-27-8) and Its Recent Applications in Chemical Biology
Terephthaldicarboxaldehyde, with the chemical formula C8H4O2 and CAS number 623-27-8, is a versatile organic compound that has garnered significant attention in the field of chemical biology due to its unique structural and reactive properties. This aldehyde derivative, derived from terephthalic acid, serves as a crucial intermediate in the synthesis of various bioactive molecules, including pharmaceuticals and agrochemicals. Its bifunctional aldehyde groups make it an attractive building block for constructing complex molecular architectures, enabling the development of novel therapeutic agents.
The reactivity of terephthaldicarboxaldehyde stems from its two aldehyde functionalities, which can participate in a wide range of chemical transformations, such as condensation reactions, cross-coupling reactions, and polymerization processes. These properties have been leveraged in recent years to explore its applications in drug discovery and material science. For instance, its ability to form stable adducts with nucleophiles has been exploited in the synthesis of Schiff bases, which exhibit diverse biological activities, including antimicrobial and anti-inflammatory effects.
In the realm of pharmaceutical research, terephthaldicarboxaldehyde has been utilized as a key intermediate in the development of small-molecule inhibitors targeting various disease pathways. Notably, studies have demonstrated its role in the synthesis of kinase inhibitors, which are critical for treating cancers and inflammatory diseases. The compound’s ability to mimic natural substrates or modulate enzyme activity has opened new avenues for therapeutic intervention. Additionally, its incorporation into drug candidates has improved pharmacokinetic profiles by enhancing solubility and bioavailability.
Recent advancements in synthetic chemistry have further expanded the utility of terephthaldicarboxaldehyde. For example, transition-metal-catalyzed reactions have enabled the efficient construction of complex heterocyclic frameworks incorporating this aldehyde moiety. These methodologies have been applied to generate novel scaffolds with potential biological activity, underscoring the compound’s importance as a synthetic precursor. Furthermore, green chemistry approaches have been explored to optimize its production, reducing environmental impact while maintaining high yields.
The biological significance of terephthaldicarboxaldehyde extends beyond its role as a synthetic intermediate. Functional derivatives of this compound have been investigated for their interaction with biological targets such as proteins and enzymes. For instance, research has highlighted its potential in modulating protein-protein interactions by serving as a scaffold for peptidomimetics or enzyme inhibitors. These findings contribute to a deeper understanding of molecular recognition processes and provide insights into designing next-generation therapeutics.
Material science applications of terephthaldicarboxaldehyde are also emerging as a promising frontier. Its ability to polymerize or form covalent networks has been exploited in the development of advanced materials with tailored properties. For example, cross-linked polymers derived from this compound exhibit enhanced stability and functionality, making them suitable for use in drug delivery systems or biosensors. Such innovations highlight the compound’s versatility beyond traditional organic synthesis applications.
The integration of computational chemistry and machine learning has further accelerated the exploration of terephthaldicarboxaldehyde’s potential applications. Predictive models have been developed to identify optimal reaction conditions and predict product outcomes, streamlining the discovery process. These computational tools have enabled researchers to design novel derivatives with enhanced properties, fostering innovation in both academic and industrial settings.
In conclusion, terephthaldicarboxaldehyde (CAS No. 623-27-8) remains a cornerstone compound in chemical biology due to its broad utility as a synthetic intermediate and its potential for developing novel bioactive molecules. Recent research underscores its importance in pharmaceuticals, material science, and advanced chemical methodologies. As scientific understanding evolves, continued exploration of this compound’s capabilities will undoubtedly yield further groundbreaking discoveries.
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