Cas no 1740-57-4 (benzene-1,3-dicarboxamide)
benzene-1,3-dicarboxamide Chemical and Physical Properties
Names and Identifiers
-
- Isophthalamide
- 1,3-Benzenedicarboxamide
- benzene-1,3-dicarboxamide
- m-Phthalamide
- isophthaldiamide
- m-carbamoylbenzamide
- isophthalicaciddiamide
- 1,3-Benzenedicarbocamide
- 1,3-BENZENEDICARBOXAMIDE/ISOPHTHALAMIDE
- Isophthalic acid diamide
- ZP57YML58I
- QZUPTXGVPYNUIT-UHFFFAOYSA-N
- Isophthalamide, 95%
- TimTec1_002854
- Oprea1_838972
- QZUPTXGVPYNUIT-UHFFFAOYSA-
- HMS1542B16
- 5619AD
- STL260986
- D91091
- A811603
- SB75732
- AM20030157
- ISO-PHTHALAMIDE
- SCHEMBL36694
- NS00025716
- CHEBI:38801
- FT-0627449
- DTXSID20169744
- InChI=1/C8H8N2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4H,(H2,9,11)(H2,10,12)
- MFCD00014801
- AKOS003277417
- EINECS 217-104-9
- I0152
- Q27117979
- CS-0207242
- 1740-57-4
- UNII-ZP57YML58I
- BRN 2045544
- 1-09-00-00372 (Beilstein Handbook Reference)
- AS-5641
- Z275156916
- DB-013761
- DTXCID6092235
-
- MDL: MFCD00014801
- Inchi: 1S/C8H8N2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4H,(H2,9,11)(H2,10,12)
- InChI Key: QZUPTXGVPYNUIT-UHFFFAOYSA-N
- SMILES: O=C(C1C=CC=C(C(N)=O)C=1)N
- BRN: 2045544
Computed Properties
- Exact Mass: 164.05900
- Monoisotopic Mass: 164.059
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 183
- 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: 3
- XLogP3: -0.2
- Topological Polar Surface Area: 86.2
Experimental Properties
- Color/Form: White powder
- Density: 1.2739 (rough estimate)
- Melting Point: 268-270°C
- Boiling Point: 291.62°C (rough estimate)
- Flash Point: 214.4±24.0 °C
- Refractive Index: 1.6000 (estimate)
- PSA: 86.18000
- LogP: 1.28500
- Solubility: Slightly soluble in water.
- Vapor Pressure: 0.0±1.0 mmHg at 25°C
benzene-1,3-dicarboxamide Security Information
- Signal Word:warning
- Hazard Statement: H303 may be harmful by ingestion +h313 may be harmful by skin contact +h1106 may be harmful by inhalation
- Warning Statement: P264+P280+P305+P351+P338+P337+P108
- Safety Instruction: S22-S24/25
- RTECS:CZ2201000
- Safety Term:S22;S24/25
- HazardClass:IRRITANT
- Storage Condition:4° CStore…,-4℃Store…Better
benzene-1,3-dicarboxamide Customs Data
- HS CODE:2924299090
- Customs Data:
China Customs Code:
2924299090Overview:
2924299090. Other cyclic amides(Including cyclic carbamates)(Including their derivatives as well as their salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to, packing
Summary:
2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
benzene-1,3-dicarboxamide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019150121-500g |
Isophthalamide |
1740-57-4 | 95% | 500g |
359.84 USD | 2021-06-15 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | I863143-100g |
Isophthalamide |
1740-57-4 | ≥97%(N) | 100g |
2,800.00 | 2021-05-17 | |
| TRC | I821983-250mg |
Isophthalamide |
1740-57-4 | 250mg |
$ 50.00 | 2022-06-04 | ||
| TRC | I821983-500mg |
Isophthalamide |
1740-57-4 | 500mg |
$ 65.00 | 2022-06-04 | ||
| TRC | I821983-2.5g |
Isophthalamide |
1740-57-4 | 2.5g |
$ 80.00 | 2022-06-04 | ||
| Apollo Scientific | OR346273-1g |
Isophthalamide |
1740-57-4 | 1g |
£39.00 | 2025-02-19 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X64505-5g |
Isophthalamide |
1740-57-4 | ≥97%(N) | 5g |
¥178.0 | 2023-09-05 | |
| Ambeed | A247523-100g |
Isophthalamide |
1740-57-4 | 98% | 100g |
$158.0 | 2024-04-22 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBT0663-25g |
benzene-1,3-dicarboxamide |
1740-57-4 | 95% | 25g |
¥330.0 | 2024-04-23 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBT0663-50g |
benzene-1,3-dicarboxamide |
1740-57-4 | 95% | 50g |
¥528.0 | 2024-04-23 |
benzene-1,3-dicarboxamide Suppliers
benzene-1,3-dicarboxamide Related Literature
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1. Synthesis and pH-responsive properties of pseudo-peptides containing hydrophobic amino acid graftsRongjun Chen,Mark E. Eccleston,Zhilian Yue,Nigel K. H. Slater J. Mater. Chem. 2009 19 4217
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Jing Min,Chunyu Wang,Liyan Wang Phys. Chem. Chem. Phys. 2021 23 13284
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Arthur H. G. David,Rosemary J. Goodwin,Nicholas G. White Dalton Trans. 2023 52 1902
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Asha Brown,Paul D. Beer Dalton Trans. 2012 41 118
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Asha Brown,Paul D. Beer Dalton Trans. 2012 41 118
Additional information on benzene-1,3-dicarboxamide
Benzene-1,3-dicarboxamide (CAS No. 1740-57-4): A Comprehensive Overview in Modern Chemical Research
The compound benzene-1,3-dicarboxamide, identified by the chemical abstracts service number CAS No. 1740-57-4, represents a significant molecule in the realm of organic chemistry and pharmaceutical research. This heterocyclic amide derivative, featuring a benzene ring substituted with two amide functional groups at the 1 and 3 positions, has garnered attention due to its versatile structural properties and potential applications in medicinal chemistry.
Structurally, benzene-1,3-dicarboxamide can be viewed as a derivative of benzene where two hydrogens are replaced by amide groups (-CONH?). This substitution introduces polar characteristics to the molecule, enhancing its solubility in polar solvents and making it a candidate for further functionalization. The presence of two amide groups allows for diverse chemical modifications, enabling the synthesis of more complex derivatives with tailored biological activities.
In recent years, benzene-1,3-dicarboxamide has been explored as a key intermediate in the synthesis of various pharmacologically active compounds. Its rigid aromatic core provides a stable scaffold for further derivatization, while the amide groups serve as reactive sites for coupling reactions. This has led to its incorporation into the development of novel therapeutic agents targeting a range of diseases.
One of the most compelling areas of research involving benzene-1,3-dicarboxamide is its application in the design of bioactive molecules. Researchers have leveraged its structural framework to develop compounds with potential antimicrobial, anti-inflammatory, and anticancer properties. The benzene ring's ability to interact with biological targets through π-stacking and hydrophobic effects further enhances its utility in drug design.
Recent studies have highlighted the role of benzene-1,3-dicarboxamide derivatives in modulating enzyme activity. For instance, modifications at the amide groups have been shown to influence the binding affinity and specificity of protease inhibitors, which are crucial in treating chronic inflammatory diseases and viral infections. The precise tuning of these derivatives allows researchers to fine-tune their pharmacological profiles, improving efficacy while minimizing side effects.
The synthesis of benzene-1,3-dicarboxamide itself is an intriguing aspect of organic chemistry. Traditional methods involve the reaction of benzene-1,3-dicarbonyl chloride with ammonia or ammonium hydroxide to form the corresponding dicarboxamide. However, modern synthetic approaches have focused on greener and more efficient methodologies. Catalytic processes and solvent-free reactions have been explored to reduce waste and improve yields, aligning with sustainable chemistry principles.
The pharmacokinetic properties of benzene-1,3-dicarboxamide derivatives are another area of active investigation. Understanding how these compounds are absorbed, distributed, metabolized, and excreted (ADME) is critical for their development into viable drugs. Computational modeling has played a significant role here, allowing researchers to predict metabolic pathways and optimize molecular structures for better bioavailability.
In conclusion,benzene-1,3-dicarboxamide (CAS No. 1740-57-4) stands as a versatile and promising compound in modern chemical research. Its unique structural features make it an invaluable building block for pharmaceutical development, offering opportunities to create novel therapeutics with significant societal impact. As research continues to evolve,the applications of this compound are likely to expand,further solidifying its importance in the field.
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