2,1,3-Benzoselenadiazole

Base Information

• Chemical Name: 2,1,3-Benzoselenadiazole
• CAS No.: 273-15-4
• Molecular Formula: C₆H₄N₂Se
• Molecular Weight: 183.071
• Hs Code.: 2902909090
• European Community (EC) Number: 205-986-8
• NSC Number: 408467
• UNII: 44Z4759EKU
• DSSTox Substance ID: DTXSID60181743
• Nikkaji Number: J99.481B
• Wikidata: Q83052360
• Mol file: 273-15-4.mol

Synonyms:2,1,3-benzoselenadiazole;piaselenole;piazselenol;piazselenole

Chemical Property of 2,1,3-Benzoselenadiazole

Chemical Property:

• Vapor Pressure: 0.0372mmHg at 25°C
• Melting Point: 74-77 °C(lit.)
• Boiling Point: 248.9°Cat760mmHg
• PKA: 0.51±0.33(Predicted)
• Flash Point: 104.4°C
• PSA: 25.78000
• Density: g/cm³
• LogP: 0.68680
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 183.95397
• Heavy Atom Count: 9
• Complexity: 95.2

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,1,3-benzoselenadiazole ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=N[Se]N=C2C=C1

Technology Process of 2,1,3-Benzoselenadiazole

There total 8 articles about 2,1,3-Benzoselenadiazole 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: 99.0%

1,2-diamino-benzene (95-54-5) → piazselenole (273-15-4,22706-23-6)

Guidance literature:

With selenium(IV) oxide; In ethanol; water; for 2h; Reflux;

DOI:10.1039/c3ra42565g

Reference yield:

N-methyl-2,1,3-benzoselenodiazolium chloride (7053-71-6) → benzoimidazole (51-17-2,79351-71-6) + piazselenole (273-15-4,22706-23-6) + 1-Methylbenzimidazole (1632-83-3)

Guidance literature:

at 165 ℃;

DOI:10.1007/BF00506602

Reference yield:

o-phenylenediamine sulphate (74710-09-1,209064-27-7) → piazselenole (273-15-4,22706-23-6)

Guidance literature:

With H₂O₃Se*2H₃N; In water;

DOI:10.1007/BF00475285

upstream raw materials:

1,2-diamino-benzene

benzo[1,2,5]selenadiazole 3-oxide

o-phenylenediamine sulphate

N-methyl-2,1,3-benzoselenodiazolium chloride

Downstream raw materials:

4-amino-2,1,3-benzoselenadiazole

5-amino-2,1,3-benzoselenadiazole

2,1,3-benzoselenadiazole * 7,7,8,8-tetracyano-p-quinodimethane

[RuHCl(CS)(2,1,3-benzoselenadiazole)(PPh₃)2]

Refernces

• 1、 Das, Apurba K.,Jadhav, Rohit G.,Kumar, Amitesh,Kumar, Sanjay,Maiti, Sayan,Mukherjee, Shaibal. "Benzoselenadiazole-Based Conjugated Molecules: Active Switching Layers with Nanofibrous Morphology for Nonvolatile Organic Resistive Memory Devices". . p. 910 - 920. Retrieved 2020/06/01.
• 2、 Maiti, Sayan,Jadhav, Rohit G.,Mobin, Shaikh M.,Mukherjee, Tushar K.,Das, Apurba K.. "Insights into the Aggregation Behaviour of a Benzoselenadiazole-Based Compound and Generation of White Light Emission". . p. 2221 - 2229. Retrieved 2019/08/21.