3-(2-Chlorophenyl)oxirane-2,2-dicarbonitrile

Base Information

• Chemical Name: 3-(2-Chlorophenyl)oxirane-2,2-dicarbonitrile
• CAS No.: 3513-08-4
• Molecular Formula: C10H5ClN2O
• Molecular Weight: 204.615
• NSC Number: 202651
• DSSTox Substance ID: DTXSID10308180
• Nikkaji Number: J1.733.478F
• Mol file: 3513-08-4.mol

Synonyms:3-(2-chlorophenyl)oxirane-2,2-dicarbonitrile;3513-08-4;NSC202651;SCHEMBL9739222;DTXSID10308180;MVPVSDDVDXPOOP-UHFFFAOYSA-N;CPM103044;AKOS015905827;NSC-202651;Oxirane, 2,2-dicyano-3-(2-chlorophenyl);3-(2-chlorophenyl)-oxirane-2,2-dicarbonitrile;3-(2-Chlorophenyl)-2,2-oxiranedicarbonitrile #;Oxirane-2,2-dicarbonitrile, 3-(2-chlorophenyl)-

Chemical Property of 3-(2-Chlorophenyl)oxirane-2,2-dicarbonitrile

Chemical Property:

• Vapor Pressure: 3.77E-07mmHg at 25°C
• Boiling Point: 416.6°Cat760mmHg
• Flash Point: 205.8°C
• Density: 1.42g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 204.0090405
• Heavy Atom Count: 14
• Complexity: 321

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C2C(O2)(C#N)C#N)Cl

Technology Process of 3-(2-Chlorophenyl)oxirane-2,2-dicarbonitrile

There total 3 articles about 3-(2-Chlorophenyl)oxirane-2,2-dicarbonitrile 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: 97.0%

o-chlorobenzylidene malononitrile (2698-41-1) → 3-(2-chlorophenyl)oxirane-2,2-dicarbonitrile (3513-08-4)

Guidance literature:

With calcium hypochlorite; In tetrachloromethane; at 20 ℃;

Reference yield:

2-chloro-benzaldehyde (89-98-5) → 3-(2-chlorophenyl)oxirane-2,2-dicarbonitrile (3513-08-4)

Guidance literature:

Multi-step reaction with 2 steps

1: piperidine / benzene / 20 °C

2: 97 percent / calcium hypochlorite / CCl₄ / 20 °C

With piperidine; calcium hypochlorite; In tetrachloromethane; benzene;

Reference yield:

→ 3-(2-chlorophenyl)oxirane-2,2-dicarbonitrile (3513-08-4)

Guidance literature:

2-Chlor-benzylidenmalononitril, HOCl;

upstream raw materials:

o-chlorobenzylidene malononitrile

2-chloro-benzaldehyde

Downstream raw materials:

(2R,3S)-3-(2-Chloro-phenyl)-2-cyano-oxirane-2-carboxylic acid (2-hydroxy-ethoxymethyl)-amide

(R)-3-(2-Chloro-phenyl)-2-cyano-oxirane-2-carboxylic acid amide

(2R,3S)-3-(2-Chloro-phenyl)-2-cyano-oxirane-2-carboxylic acid amide

3-(2-Chloro-phenyl)-2-cyano-oxirane-2-carboximidothioic acid propyl ester