Terephthalohydrazide

Base Information

• Chemical Name: Terephthalohydrazide
• CAS No.: 136-64-1
• Molecular Formula: C8H10N4O2
• Molecular Weight: 194.193
• Hs Code.: 2928000090
• European Community (EC) Number: 205-253-2
• NSC Number: 29538
• DSSTox Substance ID: DTXSID00159623
• Nikkaji Number: J30.702E
• Wikidata: Q72509564
• ChEMBL ID: CHEMBL3091849
• Mol file: 136-64-1.mol

Synonyms:Terephthalic dihydrazide;136-64-1;Terephthalohydrazide;Terephthalic acid dihydrazide;benzene-1,4-dicarbohydrazide;1,4-Benzenedicarboxylic acid, dihydrazide;Terephthalic hydrazide;Terephthaloyl dihydrazide;Terephthalic acid bishydrazide;Terephthalic acid, dihydrazide;EINECS 205-253-2;terephthalicdihydrazide;terephthalhydrazide;YSWG243;SCHEMBL343630;CHEMBL3091849;DTXSID00159623;NSC29538;BBL037215;MFCD00014762;NSC 29538;NSC-29538;STL508242;AKOS002312455;VS-14004;1,4-Benzenedicarboxylicacid,1,4-dihydrazide;CS-0157590;FT-0631795;T0758;D70955;A807105;J-524321

Chemical Property of Terephthalohydrazide

Chemical Property:

• Melting Point: >300 ºC
• Refractive Index: 1.628
• PKA: 11.84±0.10(Predicted)
• PSA: 110.24000
• Density: 1.344 g/cm³
• LogP: 1.07600
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 194.08037557
• Heavy Atom Count: 14
• Complexity: 199

Purity/Quality:

99% ^*data from raw suppliers

Terephthalic Dihydrazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)NN)C(=O)NN

Technology Process of Terephthalohydrazide

There total 8 articles about Terephthalohydrazide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

→ terephthalohydrazide (136-64-1)

Guidance literature:

With carbazic acid; In neat (no solvent); at 100 ℃; for 5h; Green chemistry;

Reference yield: 95.3%

1,4-benzenedicarboxylic acid dimethyl ester (120-61-6) → terephthalohydrazide (136-64-1)

Guidance literature:

With hydrazine; In ethanol; for 5h; Reflux;

DOI:10.2174/1570178612666150709170019

Reference yield: 92.0%

terephthaloyl chloride (100-20-9) → terephthalohydrazide (136-64-1)

Guidance literature:

With hydrazine hydrate; In ethanol; Reflux;

DOI:10.1515/hc-2013-0035

upstream raw materials:

1,4-benzenedicarboxylic acid dimethyl ester

diethyl terephthalate

1-N',4-N'-di[benz-(E)-ylidene]terephthalohydrazide

terephthalic acid

Downstream raw materials:

p-phenylene-2,2′-bis-1,3,4-oxadiazole

terephthalic acid diazide

terephthalic acid

ammonia

Refernces

• 1、 Zhang, Xiao-bing,Tang, Ben-chen,Zhang, Peng,Li, Min,Tian, Wen-jing. "Synthesis and characterization of 1,3,4-oxadiazole derivatives containing alkoxy chains with different lengths". . p. 55 - 64. Retrieved 2007.
• 2、 Liu, Hong,Zhu, Lin,Zhao, Qilong. "Schiff base compound as a corrosion inhibitor for mild steel in 1 M HCl". . p. 4943 - 4960. Retrieved 2015.
• 3、 Meethale?Pallolathil, Ramya Rajan,Nithyabalaji, Rajendran,Rathikha, Ramaswamy,Sribalan, Rajendran. "Synthesis, characterization, in vitro and in silico studies of bis-hydrazone complexes derived from terephthalic dihydrazide". . . Retrieved 2021.
• 4、 Gull, Parveez,Malik, Manzoor Ahmad,Dar, Ovas Ahmad,Hashmi, Athar Adil. "Design, synthesis and characterization of macrocyclic ligand based transition metal complexes of Ni(II), Cu(II) and Co(II) with their antimicrobial and antioxidant evaluation". . p. 734 - 741. Retrieved 2017.
• 5、 Najare, Mahesh S.,Patil, Mallikarjun K.,Nadaf, AfraQuasar A.,Mantur, Shivaraj,Garbhagudi, Manjunatha,Gaonkar, Supreet,Inamdar, Sanjeev R.,Khazi, Imtiyaz Ahmed M.. "Photophysical, thermal properties, solvatochromism and DFT/TDDFT studies on novel conjugated D-A-π-A-D form of small molecules comprising thiophene substituted 1,3,4-oxadiazole". . . Retrieved 2020.
• 6、 Avaji, Prakash Gouda,Vinod Kumar,Patil, Sangamesh A.,Shivananda,Nagaraju. "Synthesis, spectral characterization, in-vitro microbiological evaluation and cytotoxic activities of novel macrocyclic bis hydrazone". . p. 3552 - 3559. Retrieved 2009.
• 7、 Qian, Cheng,Zhou, Weiqiang,Qiao, Jingsi,Wang, Dongdong,Li, Xing,Teo, Wei Liang,Shi, Xiangyan,Wu, Hongwei,Di, Jun,Wang, Hou,Liu, Guofeng,Gu, Long,Liu, Jiawei,Feng, Lili,Liu, Yuchuan,Quek, Su Ying,Loh, Kian Ping,Zhao, Yanli. "Linkage Engineering by Harnessing Supramolecular Interactions to Fabricate 2D Hydrazone-Linked Covalent Organic Framework Platforms toward Advanced Catalysis". supporting information. p. 18138 - 18149. Retrieved 2020/11/02.