2-Chloro-4-(trifluoromethoxy)aniline

Base Information

• Chemical Name: 2-Chloro-4-(trifluoromethoxy)aniline
• CAS No.: 69695-61-0
• Molecular Formula: C7H5ClF3NO
• Molecular Weight: 211.571
• Hs Code.: 29222990
• European Community (EC) Number: 627-538-4
• DSSTox Substance ID: DTXSID80370112
• Wikidata: Q72460077
• Mol file: 69695-61-0.mol

Synonyms:2-Chloro-4-(trifluoromethoxy)aniline;69695-61-0;2-Chloro-4-trifluoromethoxyaniline;Benzenamine, 2-chloro-4-(trifluoromethoxy)-;6695-61-0;MFCD01631704;2-chloro-4-(trifluoromethoxy)phenylamine;2-CHLORO-4-TRIFLUOROMETHOXY-PHENYLAMINE;SCHEMBL1351195;2-chloro4-trifluoromethoxyaniline;DTXSID80370112;4-trifluoromethoxy-2-chloroaniline;AKOS005259605;AC-3732;AM62082;CS-W015039;PS-8002;SB79178;2-chloranyl-4-(trifluoromethyloxy)aniline;Ethyl(R)-(-)-2-hydroxy-4-phenylbutyrate;2-Chloro-4-(trifluoromethoxy)aniline, 97%;C3142;FT-0641252;EN300-173489;A836612;J-508701

Chemical Property of 2-Chloro-4-(trifluoromethoxy)aniline

Chemical Property:

• Appearance/Colour: pale yellow to yellow-brown liquid
• Vapor Pressure: 0.245mmHg at 25°C
• Refractive Index: n20/D 1.428
• Boiling Point: 205.8 °C at 760 mmHg
• PKA: 1.80±0.10(Predicted)
• Flash Point: 78.3 °C
• PSA: 35.25000
• Density: 1.468g/cm³
• LogP: 3.40200
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 211.0011760
• Heavy Atom Count: 13
• Complexity: 176

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-4-(trifluoromethoxy)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T; Xn; Xi
• Hazard Codes: Xn,T,Xi
• Statements: 22-36-43-36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1OC(F)(F)F)Cl)N

Technology Process of 2-Chloro-4-(trifluoromethoxy)aniline

There total 3 articles about 2-Chloro-4-(trifluoromethoxy)aniline 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: 85.0%

4-(trifluoromethoxy)aniline (461-82-5) → 2-chloro-4-(trifluoromethoxy)aniline (69695-61-0)

Guidance literature:

With iron(III) chloride; N-chloro-succinimide; In dichloromethane; for 3h; Reagent/catalyst; Reflux;

Reference yield:

4-amino-phenol (123-30-8) → 2-chloro-4-(trifluoromethoxy)aniline (69695-61-0)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium methylate / methanol / 4 h / 60 °C / 2250.23 Torr / Autoclave; Inert atmosphere

2: N-chloro-succinimide; iron(III) chloride / dichloromethane / 3 h / Reflux

With iron(III) chloride; N-chloro-succinimide; sodium methylate; In methanol; dichloromethane;

Reference yield:

→ 6-(2-chloro-4-trifluoromethoxyphenyl)-9-(dicyclopropylmethyl)-8-ethyl-9H-purine (219733-95-6) + 2-chloro-4-(trifluoromethoxy)aniline (69695-61-0)

Guidance literature:

upstream raw materials:

4-amino-phenol

4-(trifluoromethoxy)aniline

Downstream raw materials:

2-Chloro-1-isocyanato-4-trifluoromethoxy-benzene

(2-chloro-4-trifluoromethyl-phenyl)-methyl-amine

5-cyano-N-(4-trifluoromethoxy-2-chlorophenyl)-2-methoxybenzamide

2-chloro-4-(trifluoromethoxy)benzene-1-sulfonyl chloride