4-(Trifluoromethoxy)benzene-1,2-diamine

Base Information

• Chemical Name: 4-(Trifluoromethoxy)benzene-1,2-diamine
• CAS No.: 658-89-9
• Molecular Formula: C7H7F3N2O
• Molecular Weight: 192.141
• Hs Code.: 2922299090
• European Community (EC) Number: 640-142-6
• DSSTox Substance ID: DTXSID20378798
• Wikidata: Q72511266
• Mol file: 658-89-9.mol

Synonyms:4-(trifluoromethoxy)benzene-1,2-diamine;658-89-9;1,2-DIAMINO-4-(TRIFLUOROMETHOXY)BENZENE;1,2-Benzenediamine, 4-(trifluoromethoxy)-;4-trifluoromethoxy-benzene-1,2-diamine;4-(Trifluoromethoxy)-1,2-benzenediamine;MFCD03094278;SCHEMBL442684;DTXSID20378798;FMOC-12-AMINODODECANOICACID;CK1174;1,2-Diamino-4-trifluoromethoxybenzene;4-trifluoromethoxy-1,2-benzenediamine;4-Trifluoromethoxy-1,2-diaminobenzene;AKOS006228206;AM83279;CS-W006388;PS-8333;SB38165;SY106749;4-(trifluoromethoxy)-benzene-1,2-diamine;4-(trifluoromethoxy)-ortho-phenylenediamine;FT-0632768;4-[(Trifluoromethyl)oxy]-1,2-benzenediamine;EN300-262233;A835264;1,2-Diamino-4-(trifluoromethoxy)benzene, AldrichCPR

Chemical Property of 4-(Trifluoromethoxy)benzene-1,2-diamine

Chemical Property:

• Vapor Pressure: 0.0226mmHg at 25°C
• Boiling Point: 249.7oC at 760 mmHg
• PKA: 3.30±0.10(Predicted)
• Flash Point: 104.8oC
• PSA: 61.27000
• Density: 1.429g/cm3
• LogP: 2.91200
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 192.05104734
• Heavy Atom Count: 13
• Complexity: 174

Purity/Quality:

98%min ^*data from raw suppliers

1,?2-?Diamino-?4-?(trifluoromethoxy)?benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38-43
• Safety Statements: 26-36/37/39-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1OC(F)(F)F)N)N
• Uses: 1,?2-?Diamino-?4-?(trifluoromethoxy)?benzene is a useful synthetic compound.

Technology Process of 4-(Trifluoromethoxy)benzene-1,2-diamine

There total 11 articles about 4-(Trifluoromethoxy)benzene-1,2-diamine 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: 98.0%

2-nitro-4-trifluoromethoxyaniline (2267-23-4) → 4-(trifluoromethoxy)benzene-1,2-diamine (658-89-9)

Guidance literature:

2-nitro-4-trifluoromethoxyaniline; With hydrogenchloride; tin(ll) chloride; In ethanol; at 70 - 80 ℃; for 0.5h;

With sodium hydroxide; In ethanol; at 0 - 5 ℃; pH=11 - 12;

Reference yield: 93.0%

2-nitro-5-(trifluoromethoxy)aniline (2267-22-3) → 4-(trifluoromethoxy)benzene-1,2-diamine (658-89-9)

Guidance literature:

With hydrogen; palladium-on-charcoal; In ethanol; at 20 ℃; for 16h; Inert atmosphere;

Reference yield: 93.0%

methyl 2-nitro-5-(trifluoromethoxy)aniline → 4-(trifluoromethoxy)benzene-1,2-diamine (658-89-9)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 16h; Inert atmosphere;

upstream raw materials:

2-nitro-4-trifluoromethoxyaniline

2-amino-4-trifluoromethoxy-N-acetylaniline

4-(trifluoromethoxy)aniline

N-(4-(trifluoromethoxy)phenyl)acetamide

Downstream raw materials:

1-(2-amino-4-trifluoromethoxy-phenyl)3-prop-2-ynyl-thiourea

1-(2-amino-5-trifluoromethoxy-phenyl)3-prop-2-ynyl-thiourea

5-(trifluoromethoxy)-1,3-dihydro-2H-benzo[d]imidazol-2-one