Selenosemicarbazide

Base Information

• Chemical Name: Selenosemicarbazide
• CAS No.: 21198-79-8
• Molecular Formula: CH5 N3 Se
• Molecular Weight: 138.031
• Hs Code.: 2928000090
• European Community (EC) Number: 244-266-8
• NSC Number: 326387
• DSSTox Substance ID: DTXSID00943529
• Mol file: 21198-79-8.mol

Synonyms:Selenosemicarbazide;3-Selenosemicarbazide;Semicarbazide, seleno-;Hydrazinecarboselenoamide;21198-79-8;SCHEMBL2566105;DTXSID00943529;EINECS 244-266-8;NSC326387;HYDRAZINECARBOXIMIDOSELENOIC ACID;NSC 326387;NSC-326387

Chemical Property of Selenosemicarbazide

Chemical Property:

• Melting Point: 176 °C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 64.07000
• Density: g/cm³
• LogP: -0.43170
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 137.95704
• Heavy Atom Count: 5
• Complexity: 48.9

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Hazard Codes: N-T
• Statements: 50/53-33-23/25
• Safety Statements: 61-60-45-28A-20/21

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=NN)(N)[Se]
• Isomeric SMILES: C(=N/N)(\N)/[Se]

Technology Process of Selenosemicarbazide

There total 5 articles about Selenosemicarbazide 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: 67.0%

hydrazinyl(methylthio)methanamine (1314931-57-1) → selenosemicarbazide (21198-79-8)

Guidance literature:

With selenium; sodium tetrahydroborate; In ethanol; at 20 ℃; Inert atmosphere;

DOI:10.1021/acs.jmedchem.8b01198

Reference yield:

S-methyl isothiosemicarbazide hydroiodide (35600-34-1) → selenosemicarbazide (21198-79-8)

Guidance literature:

With sodium hydrogen selenide; In ethanol;

DOI:10.1021/jo01263a070

Reference yield:

acetone selenosemicarbazone (21198-80-1) → selenosemicarbazide (21198-79-8)

Guidance literature:

With hydrazine hydrate; In methanol;

DOI:10.1039/c6dt04785h

upstream raw materials:

butyraldehyde

S-methyl isothiosemicarbazide hydroiodide

acetone selenosemicarbazone

hydrazinyl(methylthio)methanamine

Downstream raw materials:

mercury(II) selenide

2-(4-methoxybenzoyl)hydrazinecarboselenoamide

C₈H₈ClN₃Se

(p-methoxy-benzyliden)-selenosemicarbazide

Refernces

• 1、 Aaker?y, Christer B.,Averkiev, Boris B.,De Silva, Viraj,Sinha, Abhijeet S.. "The balance between hydrogen bonds, halogen bonds, and chalcogen bonds in the crystal structures of a series of 1,3,4-chalcogenadiazoles". . . Retrieved 2021/07/25.
• 2、 Chen, Zhao,Li, Di,Xu, Ning,Fang, Jinzhang,Yu, Yan,Hou, Wei,Ruan, Haoqiang,Zhu, Panpan,Ma, Renchao,Lu, Shiying,Cao, Danhui,Wu, Rui,Ni, Mowei,Zhang, Wei,Su, Weike,Ruan, Benfang Helen. "Novel 1,3,4-Selenadiazole-Containing Kidney-Type Glutaminase Inhibitors Showed Improved Cellular Uptake and Antitumor Activity". supporting information. p. 589 - 603. Retrieved 2019/01/10.