Halocarban

Base Information

• Chemical Name: Halocarban
• CAS No.: 369-77-7
• Molecular Formula: C14H9 Cl2 F3 N2 O
• Molecular Weight: 349.139
• Hs Code.: 2924299090
• European Community (EC) Number: 206-724-5
• NSC Number: 114133
• UNII: I5ZZY3DC5G
• DSSTox Substance ID: DTXSID0048684
• Nikkaji Number: J5.706A
• Wikipedia: Halocarban
• Wikidata: Q27280484
• NCI Thesaurus Code: C47457
• ChEMBL ID: CHEMBL1981438
• Mol file: 369-77-7.mol

Synonyms:3-trifluoromethyl-4,4'-dichlorocarbanilide;4,4'-dichloro-3-(trifluoromethyl)carbanilide;cloflucarban;halocarban;Irgasan;Irgasan CF3

Chemical Property of Halocarban

Chemical Property:

• Vapor Pressure: 0.000185mmHg at 25°C
• Melting Point: 214-215°
• Boiling Point: 328.8°Cat760mmHg
• PKA: 12.89±0.70(Predicted)
• Flash Point: 152.7°C
• PSA: 41.13000
• Density: 1.536g/cm³
• LogP: 5.80220
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 348.0044028
• Heavy Atom Count: 22
• Complexity: 387

Purity/Quality:

99% ^*data from raw suppliers

CLOFLUCARBAN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)Cl
• Uses: Disinfectant.

Technology Process of Halocarban

There total 2 articles about Halocarban 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:

4-chloro-aniline (106-47-8) + 4-chloro-3-(trifluoromethyl)phenyl isocyanate (327-78-6) → cloflucarban (369-77-7)

Guidance literature:

Reference yield:

→ cloflucarban (369-77-7)

Guidance literature:

Reference yield:

cloflucarban (369-77-7) → 4-chloro-aniline (106-47-8) + 4-chloro-3-trifluoromethyl-aniline (320-51-4)

Guidance literature:

With sodium hydroxide; In ethanol; water; at 83 ℃; for 24h; Irradiation; further reagents, further conditions;

upstream raw materials:

4-chloro-aniline

4-chloro-3-(trifluoromethyl)phenyl isocyanate

Downstream raw materials:

4-chloro-aniline

4-chloro-3-trifluoromethyl-aniline

Refernces