4-(TRIFLUOROMETHOXY)PHENYLACETONITRILE

Base Information

• Chemical Name: 4-(TRIFLUOROMETHOXY)PHENYLACETONITRILE
• CAS No.: 49561-96-8
• Molecular Formula: C9H6F3NO
• Molecular Weight: 201.148
• Hs Code.: 29269090
• Mol file: 49561-96-8.mol

Synonyms:1-[4-(Trifluoromethoxy)phenyl]acetonitrile;4-(Trifluoromethoxy)benzeneacetonitrile;4-Trifluoromethoxybenzyl cyanide;4-Trifluoromethoxyphenylacetonitrile;

Chemical Property of 4-(TRIFLUOROMETHOXY)PHENYLACETONITRILE

Chemical Property:

• Appearance/Colour: clear yellow liquid
• Vapor Pressure: 0.0905mmHg at 25°C
• Melting Point: 30-33 °C(lit.)
• Refractive Index: 1.448-1.45
• Boiling Point: 224.6 °C at 760 mmHg
• Flash Point: 89.6 °C
• PSA: 33.02000
• Density: 1.289 g/cm³
• LogP: 2.65128

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-[4-(Trifluoromethoxy)phenyl]acetonitrile ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

Total 1 MSDS from other Authors

Useful:

Technology Process of 4-(TRIFLUOROMETHOXY)PHENYLACETONITRILE

There total 6 articles about 4-(TRIFLUOROMETHOXY)PHENYLACETONITRILE 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: 95.0%

sodium cyanide (773837-37-9) + 4-trifluoromethoxybenzyl bromide (50824-05-0) → (4-trifluoromethoxy-phenyl)-acetonitrile (49561-96-8)

Guidance literature:

In dimethyl sulfoxide; at 90 ℃; for 1h;

Reference yield: 95.0%

→ (4-trifluoromethoxy-phenyl)-acetonitrile (49561-96-8)

Guidance literature:

Reference yield: 76.3%

4-trifluoromethoxybenzyl bromide (50824-05-0) → (4-trifluoromethoxy-phenyl)-acetonitrile (49561-96-8)

Guidance literature:

In ethanol; water;

upstream raw materials:

4-trifluoromethoxybenzyl bromide

potassium cyanide

4-trifluoromethoxybenzyl alcohol

4-trifluoromethoxy-benzoic acid ethyl ester

Downstream raw materials:

4-[2-cyano-2-(4-trifluoromethoxyphenyl)vinyl]benzoic acid methyl ester

1-(4-(trifluoromethoxy)phenyl)cyclobutane-1-carbonitrile

tert-butyl cyano[4-(trifluoromethoxy)phenyl]acetate

2-[4-(trifluoromethoxy)phenyl]ethanethioamide

Refernces

• 1、 -. "Anti-Inflammation Compounds". Paragraph 0164; 0166. . Retrieved 2014/06/23.
• 2、 -. "ANTI-INFECTIVE COMPOUNDS". Page/Page column 26. . Retrieved 2011/10/10.