1,3-Phenylene cyanate

Base Information

• Chemical Name: 1,3-Phenylene cyanate
• CAS No.: 1129-88-0
• Deprecated CAS: 32728-35-1
• Molecular Formula: C₈H₄N₂O₂
• Molecular Weight: 160.132
• DSSTox Substance ID: DTXSID70150208
• Nikkaji Number: J31.971F
• Wikidata: Q83016184
• Mol file: 1129-88-0.mol

Synonyms:Resorcy;1,3-Phenylene cyanate;Resorcinol dicyanate;(3-cyanatophenyl) cyanate;1129-88-0;RDX 76679;Cyanic acid, 1,3-phenylene ester;Cyanic acid, C,C'-1,3-phenylene ester;Cyanic acid, m-phenylene ester (7CI,8CI);1,3-dicyanatobenzene;1,3-Phenylenedicyanate;SCHEMBL26009;Cyanic acid, m-phenylene ester;DTXSID70150208;LS-55774

Chemical Property of 1,3-Phenylene cyanate

Chemical Property:

• Vapor Pressure: 0.0241mmHg at 25°C
• Boiling Point: 248.5°C at 760 mmHg
• Flash Point: 103.1°C
• Density: 1.289g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 160.027277375
• Heavy Atom Count: 12
• Complexity: 210

Purity/Quality:

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

Safty Information:

• Pictogram(s): Low toxicity by ingestion and skin contact. A mild skin irritant.
• Hazard Codes: Low toxicity by ingestion and skin contact. A mild skin irritant.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)OC#N)OC#N

Technology Process of 1,3-Phenylene cyanate

There total 3 articles about 1,3-Phenylene cyanate 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:

bromocyane (506-68-3) + recorcinol (108-46-3) → 1,3-Phenylen-bis-cyanat (1129-88-0,32728-35-1)

Guidance literature:

With triethylamine; In acetone; at -10 ℃;

Reference yield:

recorcinol (108-46-3) + cyanogen chloride (506-77-4) → 1,3-Phenylen-bis-cyanat (1129-88-0,32728-35-1)

Guidance literature:

With triethylamine;

Reference yield:

→ 1,3-Phenylen-bis-cyanat (1129-88-0,32728-35-1)

Guidance literature:

Chlorcyan, Resorcin;

upstream raw materials:

recorcinol

cyanogen chloride

bromocyane

Downstream raw materials:

C₈H₆N₈O₂

Refernces