Selenocyanic acid, 2-oxo-2-(phenylamino)ethyl ester

Base Information

• Chemical Name: Selenocyanic acid, 2-oxo-2-(phenylamino)ethyl ester
• CAS No.: 63981-21-5
• Molecular Formula: C9H8 N2 O Se
• Molecular Weight: 239.135
• DSSTox Substance ID: DTXSID90213884
• Nikkaji Number: J62.762C
• Wikidata: Q83089534
• Mol file: 63981-21-5.mol

Synonyms:63981-21-5;2-Oxo-2-(phenylamino)ethyl selenocyanate;Selenocyanic acid, 2-oxo-2-(phenylamino)ethyl ester;BRN 3261249;Selenocyanic acid, ester with alpha-hydroxyacetanilide;C9H8N2OSe;C9-H8-N2-O-Se;DTXSID90213884;LS-144822

Chemical Property of Selenocyanic acid, 2-oxo-2-(phenylamino)ethyl ester

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 56.38000
• Density: g/cm³
• LogP: 1.87818
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 239.98018
• Heavy Atom Count: 13
• Complexity: 215

Purity/Quality:

99% ^*data from raw suppliers

2-OXO-2-(PHENYLAMINO)ETHYL SELENOCYANATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): A poison by ingestion. TWA 0.2 mg(Se)/m³
• Hazard Codes: A poison by ingestion. TWA 0.2 mg(Se)/m3

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=O)C[Se]C#N

Technology Process of Selenocyanic acid, 2-oxo-2-(phenylamino)ethyl ester

There total 1 articles about Selenocyanic acid, 2-oxo-2-(phenylamino)ethyl ester 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:

N-chloroacetyl-aniline (587-65-5) → cyanoselanyl-acetic acid anilide (63981-21-5)

Guidance literature:

With ethanol; potassium selenocyanate;

Reference yield:

cyanoselanyl-acetic acid anilide (63981-21-5) + aniline (62-53-3) → ethanedinitrile (460-19-5,25215-76-3) + diselanediyldi-acetic acid dianilide (64046-56-6)

Guidance literature:

Reference yield:

cyanoselanyl-acetic acid anilide (63981-21-5) + ammonium hydroxide → ethanedinitrile (460-19-5,25215-76-3) + diselanediyldi-acetic acid dianilide (64046-56-6)

Guidance literature:

upstream raw materials:

N-chloroacetyl-aniline

Downstream raw materials:

diselanediyldi-acetic acid dianilide

ethanedinitrile