Isophthalic dihydrazide

Base Information

• Chemical Name: Isophthalic dihydrazide
• CAS No.: 2760-98-7
• Deprecated CAS: 86240-61-1
• Molecular Formula: C8H10N4O2
• Molecular Weight: 194.193
• Hs Code.: 29280000
• European Community (EC) Number: 220-425-7
• NSC Number: 75606
• UNII: R51J8KL2JE
• DSSTox Substance ID: DTXSID2038813
• Nikkaji Number: J60.334A
• Wikidata: Q27287803
• ChEMBL ID: CHEMBL3183395
• Mol file: 2760-98-7.mol

Synonyms:Isophthalic dihydrazide;2760-98-7;Isophthalohydrazide;Isophthalyl dihydrazide;benzene-1,3-dicarbohydrazide;Isophthalic acid dihydrazide;1,3-Benzenedicarboxylic acid, dihydrazide;Isophthalic acid hydrazide;Isophthalic hydrazide;Isophthalic acid, dihydrazide;1,3-Benzenedicarboxylic acid, 1,3-dihydrazide;1,3-Phenylenebiscarbohydrazide;NSC 75606;UNII-R51J8KL2JE;R51J8KL2JE;DTXSID2038813;EINECS 220-425-7;MFCD00025117;NSC-75606;iso-Phthalic Acid, Dihydrazide;SCHEMBL77384;CHEMBL3183395;DTXCID0018813;CAA76098;NSC75606;Tox21_301460;AC2337;STK431859;AKOS001026735;SB85909;NCGC00255434-01;AS-14784;SY040656;CAS-2760-98-7;CS-0149903;FT-0627452;I0257;A819134;W-107100;Q27287803;Z56756471

Chemical Property of Isophthalic dihydrazide

Chemical Property:

• Vapor Pressure: 0-0Pa at 20-25℃
• Melting Point: 224 °C
• Refractive Index: 1.628
• PKA: 11.87±0.10(Predicted)
• PSA: 110.24000
• Density: 1.344 g/cm³
• LogP: 1.07600
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• 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: 209

Purity/Quality:

99% ^*data from raw suppliers

Isophthalohydrazide ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Isophthalic dihydrazide

There total 12 articles about Isophthalic dihydrazide 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: 100.0%

dimethyl Isophthalate (1459-93-4) → isophthalic dihydrazide (2760-98-7)

Guidance literature:

With hydrazine hydrate; In methanol; at 70 ℃; for 4h;

DOI:10.1021/jacs.8b05220

Reference yield: 91.0%

benzene-1,3-dicarbonyl dichloride (99-63-8) → isophthalic dihydrazide (2760-98-7)

Guidance literature:

With hydrazine hydrate; In ethanol; Reflux;

DOI:10.1515/hc-2013-0035

Reference yield: 85.0%

dimethyl Isophthalate (1459-93-4) + hydrazine hydrate (7803-57-8,79785-97-0) → isophthalic dihydrazide (2760-98-7)

Guidance literature:

In methanol; for 5h; Reflux;

DOI:10.1016/j.saa.2018.06.055

upstream raw materials:

isophthalic acid

dimethyl Isophthalate

diethyl ether

hydrazine hydrate

Downstream raw materials:

1,3-bis(3,5-dimethylpyrazolyl-1-carbonyl)benzene

Isophthalaldehyde

isophthalic acid bis-[(2-oxo-thiazolidin-4-ylidene)-hydrazide]

isophthaloyl diazide

Refernces

• 1、 Roy Chowdhury, Additi,Mondal, Amita,Roy, Biswajit Gopal,Bose, Jagadeesh C.K.,Mukhopadhyay, Sudit,Banerjee, Priyabrata. "Hydrazine functionalized probes for chromogenic and fluorescent ratiometric sensing of pH and F-: Experimental and DFT studies". . p. 1654 - 1663. Retrieved 2017.
• 2、 Choudhury, Lokman H.,Kumar Pandey, Anoop,Kumar, Rohit,Singh, Vinod P.,Srikrishna, S.,Upadhyay, Chandan,Yadav, Pranjalee. "A reversible and efficient probe for dual mode recognition of Al3+ and Cu2+ with logic gate behaviour: Crystal structure, theoretical and in-vivo bio-imaging investigations". . . Retrieved 2021/11/11.
• 3、 Wu, Dehua,Song, Jintong,Qu, Lang,Zhou, Weilan,Wang, Lei,Zhou, Xiangge,Xiang, Haifeng. "Ultralow-Molecular-Weight Stimuli-Responsive and Multifunctional Supramolecular Gels Based on Monomers and Trimers of Hydrazides". . p. 3370 - 3378. Retrieved 2020/10/02.