7-Nitro-2-(trifluoromethyl)-10H-phenothiazine

Base Information

• Chemical Name: 7-Nitro-2-(trifluoromethyl)-10H-phenothiazine
• CAS No.: 2069-32-1
• Molecular Formula: C13H7 F3 N2 O2 S
• Molecular Weight: 312.272
• Hs Code.: 2934300000
• European Community (EC) Number: 218-192-1
• ChEMBL ID: CHEMBL1472463
• DSSTox Substance ID: DTXSID90174749
• Nikkaji Number: J298.681G
• Wikidata: Q83044866
• Mol file: 2069-32-1.mol

Synonyms:7-Nitro-2-(trifluoromethyl)-10H-phenothiazine;2069-32-1;SR-03000000695-1;EINECS 218-192-1;Phenothiazine, 7-nitro-2-(trifluoromethyl)-;SCHEMBL6676353;CHEMBL1472463;BDBM67474;cid_4677573;DTXSID90174749;AKOS024333902;7-Nitro-2-[trifluoromethyl]phenthoiazine;NS00046019;10H-Phenothiazine, 7-nitro-2-(trifluoromethyl)-;7-Nitro-2-(trifluoromethyl)-10H-phenothiazine #;7-NITRO-2-(TRIFLUOROMETHYL)-PHENOTHIAZINE

Chemical Property of 7-Nitro-2-(trifluoromethyl)-10H-phenothiazine

Chemical Property:

• Vapor Pressure: 1.2E-07mmHg at 25°C
• Boiling Point: 431.4°Cat760mmHg
• Flash Point: 214.7°C
• PSA: 83.15000
• Density: 1.509g/cm³
• LogP: 5.48300
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 312.01803313
• Heavy Atom Count: 21
• Complexity: 415

Purity/Quality:

99% ^*data from raw suppliers

7-NITRO-2-(TRIFLUOROMETHYL)-PHENOTHIAZINE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC2=C(C=C1C(F)(F)F)NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Technology Process of 7-Nitro-2-(trifluoromethyl)-10H-phenothiazine

There total 6 articles about 7-Nitro-2-(trifluoromethyl)-10H-phenothiazine 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: 32.0%

2-formamido-4-trifluoromethyl-2',4'-dinitrodiphenylsulfide (1536-26-1) → 7-nitro-2-(trifluoromethyl)phenothiazine (2069-32-1)

Guidance literature:

With sodium hydroxide; In ethanol; for 2h; Heating;

DOI:10.1016/S0022-1139(00)82750-5

Reference yield:

2-amino-4-trifluoromethyl-2',4'-dinitrodiphenylsulfide (1581-03-9) → 7-nitro-2-(trifluoromethyl)phenothiazine (2069-32-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / 6 h / Heating

2: 32 percent / NaOH / ethanol / 2 h / Heating

With sodium hydroxide; In ethanol;

DOI:10.1016/S0022-1139(00)82750-5

Reference yield:

zinc mercaptide of 2-amino-4-trifluoromethylbenzenethiol (368-75-2) → 7-nitro-2-(trifluoromethyl)phenothiazine (2069-32-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 80 percent / NaOH / ethanol / Heating

2: 70 percent / 6 h / Heating

3: 32 percent / NaOH / ethanol / 2 h / Heating

With sodium hydroxide; In ethanol;

DOI:10.1016/S0022-1139(00)82750-5

upstream raw materials:

2-formamido-4-trifluoromethyl-2',4'-dinitrodiphenylsulfide

2-amino-4-trifluoromethyl-2',4'-dinitrodiphenylsulfide

zinc mercaptide of 2-amino-4-trifluoromethylbenzenethiol

1-chloro-2,4-dinitro-benzene

Refernces