Benzeneselenol

Base Information

• Chemical Name: Benzeneselenol
• CAS No.: 645-96-5
• Molecular Formula: C6H6Se
• Molecular Weight: 157.074
• Hs Code.: 29319090
• European Community (EC) Number: 211-457-2
• DSSTox Substance ID: DTXSID30275709
• Nikkaji Number: J1.269.434B,J2.010.916E
• Wikipedia: Benzeneselenol
• ChEMBL ID: CHEMBL5186653
• Mol file: 645-96-5.mol

Synonyms:benzeneselenol;benzeneselenol sodium salt;selenophenol

Chemical Property of Benzeneselenol

Chemical Property:

• Appearance/Colour: clear yellow liquid
• Refractive Index: n20/D 1.616(lit.)
• Boiling Point: 183.6 °C at 760 mmHg
• PKA: 4.73±0.70(Predicted)
• Flash Point: 70 °C
• PSA: 0.00000
• Density: 1.479 g/mL at 25 °C(lit.)
• LogP: 0.59290
• Sensitive.: Air Sensitive
• Water Solubility.: Not miscible or difficult to mix in water.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 156.95565
• Heavy Atom Count: 7
• Complexity: 46.1

Purity/Quality:

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

Benzeneselenol >95.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,N
• 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=CC=C(C=C1)[Se]
• Uses: It is applied for reactions of phenylselenol and its anion. Benzeneselenol can used as starting reagent in the synthesis of monoseleno-substituted 1,3-dienes. It may be used in the synthesis of cationic chalcogenolato-bridged diruthenium complexes. Benzeneselenol may be used as starting reagent in the synthesis of monoseleno-substituted 1,3-dienes. It may be used in the synthesis of cationic chalcogenolato-bridged diruthenium complexes.

Technology Process of Benzeneselenol

There total 42 articles about Benzeneselenol 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%

diphenyl diselenide (1666-13-3) → Benzeneselenol (645-96-5)

Guidance literature:

With sulfuric acid; zinc; In diethyl ether; water; at 20 ℃;

DOI:10.1055/s-2008-1078408

Reference yield: 97.0%

phenyl trimethylsilyl selenide (33861-17-5) → chloro-trimethyl-silane (75-77-4) + Benzeneselenol (645-96-5)

Guidance literature:

With hydrogenchloride; In acetonitrile;

DOI:10.1021/jo00320a012

Reference yield: 73.0%

phenylmagnesium bromide → Benzeneselenol (645-96-5)

Guidance literature:

With selenium; In diethyl ether;

upstream raw materials:

n-butyllithium

diphenylselenide

phenyl selenocyanate

benzeneseleninic acid

Downstream raw materials:

(phenylseleno)acetaldehyde dimethyl acetal

diphenyl diselenide

2-(phenylselanyl)benzoic acid

β-(phenylseleno)acrylic acid

Refernces

• 1、 Chen, Wenqiang,Yue, Xiuxiu,Zhang, Hui,Li, Wenxiu,Zhang, Liangliang,Xiao, Qi,Huang, Chusheng,Sheng, Jiarong,Song, Xiangzhi. "Simultaneous Detection of Glutathione and Hydrogen Polysulfides from Different Emission Channels". . p. 12984 - 12991. Retrieved 2017.
• 2、 Wang, Xin-Yu,Zhong, Yuan-Fang,Mo, Zu-Yu,Wu, Shi-Hong,Xu, Yan-Li,Tang, Hai-Tao,Pan, Ying-Ming. "Synthesis of Seleno Oxindoles via Electrochemical Cyclization of N-arylacrylamides with Diorganyl Diselenides". supporting information. p. 208 - 214. Retrieved 2020/12/04.