4-(2,2,3,3-Tetrafluoropropoxy)benzene-1,2-dicarbonitrile

Base Information

• Chemical Name: 4-(2,2,3,3-Tetrafluoropropoxy)benzene-1,2-dicarbonitrile
• CAS No.: 121190-46-3
• Molecular Formula: C11H6 F4 N2 O
• Molecular Weight: 258.17
• Hs Code.: 2926907090
• DSSTox Substance ID: DTXSID10400698
• Nikkaji Number: J3.350.026B
• Wikidata: Q82203714
• Mol file: 121190-46-3.mol

Synonyms:121190-46-3;4-(2,2,3,3-tetrafluoropropoxy)benzene-1,2-dicarbonitrile;1,2-Benzenedicarbonitrile, 4-(2,2,3,3-tetrafluoropropoxy);4-(2,2,3,3-Tetrafluoropropoxy)phthalonitrile;HMS1649C10;DTXSID10400698;GRGLGCUTWCKKOQ-UHFFFAOYSA-N;MFCD00693016;FT-0642960;4-(2,2,3,3-Tetrafluoropropyloxy)phthalonitrile;A804685;1,2-Benzenedicarbonitrile,4-(2,2,3,3-tetrafluoropropoxy);1,2-Benzenedicarbonitrile, 4-(2,2,3,3-tetrafluoropropoxy)-

Chemical Property of 4-(2,2,3,3-Tetrafluoropropoxy)benzene-1,2-dicarbonitrile

Chemical Property:

• Refractive Index: 1.468
• Boiling Point: 368.5°Cat760mmHg
• Flash Point: 176.6°C
• PSA: 56.81000
• Density: 1.38g/cm³
• LogP: 2.70916
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 258.04162547
• Heavy Atom Count: 18
• Complexity: 381

Purity/Quality:

98%Min ^*data from raw suppliers

4-(2,2,3,3-TETRAFLUOROPROPOXY)PHTHALONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 21/22
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1OCC(C(F)F)(F)F)C#N)C#N

Technology Process of 4-(2,2,3,3-Tetrafluoropropoxy)benzene-1,2-dicarbonitrile

There total 1 articles about 4-(2,2,3,3-Tetrafluoropropoxy)benzene-1,2-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: 50.0%

2,2,3,3-tetrafluoropropanol (76-37-9) + 4-Nitrophthalonitrile (31643-49-9) → 4-(2,2,3,3-tetrafluoropropoxy)phthalonitrile (121190-46-3)

Guidance literature:

2,2,3,3-tetrafluoropropanol; 4-Nitrophthalonitrile; In dimethyl sulfoxide; for 0.166667h; Inert atmosphere;

With potassium carbonate; In dimethyl sulfoxide; at 20 ℃; Inert atmosphere;

DOI:10.1002/ejic.200901096

upstream raw materials:

2,2,3,3-tetrafluoropropanol

4-Nitrophthalonitrile

Refernces