4-Chloro-5-(trifluoromethyl)benzene-1,2-diamine

Base Information

• Chemical Name: 4-Chloro-5-(trifluoromethyl)benzene-1,2-diamine
• CAS No.: 157590-59-5
• Molecular Formula: C7H6ClF3N2
• Molecular Weight: 210.586
• Hs Code.: 2921599090
• European Community (EC) Number: 695-217-6
• DSSTox Substance ID: DTXSID00378498
• Nikkaji Number: J1.162.290I
• Wikidata: Q72462739
• ChEMBL ID: CHEMBL4940710
• Mol file: 157590-59-5.mol

Synonyms:157590-59-5;4-chloro-5-(trifluoromethyl)benzene-1,2-diamine;2-Amino-4-chloro-5-(trifluoromethyl)aniline;2-Amino-4-chloro-5-(trifluoromethyl)phenylamine;2-Chloro-4,5-diaminobenzotrifluoride;1,2-Benzenediamine, 4-chloro-5-(trifluoromethyl)-;4-Chloro-5-trifluoromethyl-o-phenylenediamine;MFCD00119550;4-Chloro-5-Trifluoromethyl-O-Phenylenediamine, 95%;5-chloro-4-(trifluoromethyl)benzene-1,2-diamine;SCHEMBL440693;CHEMBL4940710;DTXSID00378498;3,4-diamino-6-chlorobenzotrifluoride;AKOS005073257;CS-W002384;KD-0756;SB79353;SY012281;AM20061029;FT-0681312;1,2-diamino-4-chloro-5-trifluoromethylbenzene;EN300-1452165;4-(Trifluoromethyl)-5-chlorobenzene-1,2-diamine;A809853;J-515039

Chemical Property of 4-Chloro-5-(trifluoromethyl)benzene-1,2-diamine

Chemical Property:

• Melting Point: 61-63 °C
• Boiling Point: 305.1 °C at 760 mmHg
• Flash Point: 138.3 °C
• PSA: 52.04000
• Density: 1.51 g/cm³
• LogP: 3.68560
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Water Solubility.: Slightly soluble in water.
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 210.0171604
• Heavy Atom Count: 13
• Complexity: 185

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-5-(trifluoromethyl)benzene-1,2-diamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1N)N)Cl)C(F)(F)F
• Uses: 4-Chloro-5-trifluoromethyl-o-phenylenediamine has application in dietary supplements, pharmaceutical or cosmeticeuticals.

Technology Process of 4-Chloro-5-(trifluoromethyl)benzene-1,2-diamine

There total 6 articles about 4-Chloro-5-(trifluoromethyl)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: 97.0%

5-chloro-2-nitro-4-(trifluoromethyl)aniline (35375-74-7) → 4-chloro-5-(trifluoromethyl)-1,2-diaminobenzene (157590-59-5)

Guidance literature:

With water; tin(ll) chloride; In ethanol; at 80 ℃;

Reference yield:

SnCl2 ·2H2 O + 5-Amino-2-chloro-4-nitrobenzotrifluoride (167415-22-7) → 4-chloro-5-(trifluoromethyl)-1,2-diaminobenzene (157590-59-5)

Guidance literature:

In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; ethanol;

Reference yield:

acetic acid-(3-chloro-4-trifluoromethyl-anilide) (546434-30-4) → 4-chloro-5-(trifluoromethyl)-1,2-diaminobenzene (157590-59-5)

Guidance literature:

Multi-step reaction with 3 steps

1: concd. H₂SO₄, concd. HNO₃ / 0 - 20 °C

2: concd. HCl / Heating

3: SnCl₂*H₂O / ethyl acetate; ethanol / 0.58 h / 70 °C

With hydrogenchloride; sulfuric acid; nitric acid; tin(ll) chloride; In ethanol; ethyl acetate;

DOI:10.1021/jm00022a003

upstream raw materials:

5-chloro-2-nitro-4-(trifluoromethyl)aniline

3-chloro-4-(trifluoromethyl)aniline

acetic acid-(3-chloro-4-trifluoromethyl-anilide)

N-(5-Chloro-2-nitro-4-trifluoromethyl-phenyl)-acetamide

Downstream raw materials:

C₂₁H₁₈ClF₃N₂O₃